| A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z | AA | AB | AC | AD | AE | AF | AG | AH | AI | AJ | AK | AL | AM | AN | AO | AP | AQ | AR | AS | AT | AU | AV | AW | AX | AY | AZ | BA | BB | BC | BD | BE | BF | BG | BH | BI | BJ | BK | BL | BM | BN | BO | BP | BQ | BR | BS | BT | BU | ||
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1 | Updated Aug 15 2022 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
2 | Jeff Wagner | 2021 | 2022 | 2023 | 2024 | 2025 | 2026 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
3 | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | ||
4 | 100% | Industry benchmark | Maintenance + support | Toolkit backlog | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | off-benchmark refactor | off-benchmark refactor | off-benchmark refactor | off-benchmark refactor | off-benchmark refactor | benchmark season 2? | Followup workshops | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | PDB reading with OpenFE | PDB reading with OpenFE | Topology.from_pdb | Topology.from_pdb | Custom polymers | Custom polymers | QCSubmit updates | QCSubmit updates | QCSubmit updates | Maintenance + support | Maintenance + support | QCArchive queue mgmt | NA support | NA support | NA support | Maintenance + support | QCArchive queue mgmt | QCArchive queue mgmt | Protein observables | Protein observables | Back to school | SystemGenerator | SystemGenerator | Annual meeting prep | Annual meeting prep | |||||||||||||||||||||||
5 | 80% | Industry benchmark | Industry benchmark | Maintenance + support | 14SB cleanup | 14SB cleanup | Maintenance + support | Maintenance + support | off-benchmark refactor | off-benchmark refactor | Maintenance + support | Maintenance + support | Biopolymer infra | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | off-benchmark refactor | off-benchmark refactor | off-benchmark refactor | Biopoymer support? | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | BespokeFit updates | Maintenance + support | Maintenance + support | Organization duties | QCSubmit updates | QCSubmit updates | Maintenance + support | Vacation | Maintenance + support | Maintenance + support | pdbx/mmcif support | pdbx/mmcif support | QCArchive queue mgmt | Organization duties | Maintenance + support | Maintenance + support | Protein observables | Protein observables | Back to school | SystemGenerator | SystemGenerator | Annual meeting | ||||||||||||||||||||||||
6 | 60% | Industry benchmark | Industry benchmark | Biopolymer infra | 14SB cleanup | Biopolymer infra | Biopolymer infra | off-benchmark refactor | off-benchmark refactor | off-benchmark refactor | Biopolymer infra | 14SB cleanup | Organization duties | Biopolymer infra | Biopolymer toolkit release | Biopolymer infra | Biopolymer infra | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Organization duties | Organization duties | Organization duties | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Organization duties | Maintenance + support | Maintenance + support | Organization duties | Vacation | Maintenance + support | Maintenance + support | QCArchive queue mgmt | Maintenance + support | Maintenance + support | Vacation | Maintenance + support | Scipy prep | Protein observables | Protein observables | SystemGenerator | SystemGenerator | ||||||||||||||||||||||||||
7 | 40% | Industry benchmark | Industry benchmark | Industry benchmark | Biopolymer infra | Biopolymer infra | Biopolymer infra | Biopolymer infra | Organization duties | Organization duties | Organization duties | Organization duties | Vacation | Organization duties | Organization duties | Organization duties | Organization duties | Maintenance + support | Maintenance + support | Maintenance + support | Maintenance + support | Organization duties | RDKit UGM | Organization duties | Vacation | Organization duties | Annual meeting prep | Annual meeting prep | Annual meeting prep | Annual meeting prep | Organization duties | Scipy | Organization duties | Organization duties | Organization duties | Vacation | Organization duties | Organization duties | Maintenance + support | Organization duties | Organization duties | Annual meeting prep | Maintenance + support | Scipy meeting | MuPT training | |||||||||||||||||||||||||||||
8 | 20% | Organization duties | Organization duties | Organization duties | Organization duties | Organization duties | Organization duties | Organization duties | Vacation | Vacation | Vacation | Holidays | Holidays | Organization duties | Organization duties | Organization duties | Organization duties | Organization duties | Organization duties | Organization duties | Vacation | Organization duties | Vacation | Holidays | Holidays | Organization duties | Organization duties | Organization duties | Organization duties | Annual meeting | Organization duties | GRC | Organization duties | Organization duties | Vacation | Holidays | Holidays | Organization duties | Organization duties | OE CUP | Annual meeting prep | Annual meeting | Organization duties | Organization duties | Espaloma in Toolkit+Interchange | Espaloma in Toolkit+Interchange | Holidays | Holidays | MuPT training | |||||||||||||||||||||||||
9 | Industry benchmark | Dalke onboarding | OpenFF+MolSSI workshops | Organization duties | Industry benchmark | Followup workshops | Biopolymer infra | Biopolymer infra | Interchange regression testing | Interchange regression testing | Organization duties | Organization duties | Annual meeting | Annual report | Organization duties | Followup workshops | Organization duties | Organization duties | ForceBalance fixes | Bespoke fixes and support | Jury duty | Workshops + demos | Alchemiscale dev deployments | Alchemiscale dev deployments | Alchemiscale dev deployments | Alchemiscale dev deployments | Alchemiscale dev deployments | Possibly some/all this time for NSF CSSI polymer work | Espaloma in Toolkit+Interchange | |||||||||||||||||||||||||||||||||||||||||||||
10 | Industry benchmark | Dalke coordination | NIH ODSS talks | Biopolymer infra | Biopolymer infra | Biopolymer infra | F@H project kickoff | Bespoke release support | Bespoke release support | Annual meeting | Biopolymer infra | Biopolymer infra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
11 | Industry benchmark | Industry benchmark | Biopolymer infra | OFF-EP0005 | Biopolymer infra | Biopolymer infra | Biopolymer infra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
13 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
14 | Matt Thompson | 2024 | 2025 | 2026 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
15 | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | ||
16 | 100% | System devel | Biopolymer infra | Biopolymer infra | Biopolymer infra | Biopolymer infra | System devel | System devel | System devel | System devel | System devel | System devel | System devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Generalized benchmarking | Interchange devel | Interchange devel | Generalized benchmarking | Generalized benchmarking | Generalized benchmarking | Generalized benchmarking | Generalized benchmarking | Ecosystem maintenance | Generalized benchmarking | Generalized benchmarking | Interchange devel | Generalized benchmarking | Generalized benchmarking | Back to school | smee-evaluator? | smee-evaluator? | ||||||||||||||||||||||||||||||||
17 | 80% | System devel | System devel | System devel | System devel | System devel | System devel | System devel | System devel | System devel | System devel | System devel | VU coordination | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Interchange devel | cap and charge or NN | cap and charge or NN | Generalized benchmarking | Generalized benchmarking | Generalized benchmarking | Generalized benchmarking | Interchange devel | Interchange devel | Interchange devel | Interchange devel | Ecosystem maintenance | Interchange devel | Interchange devel | Interchange devel | Ecosystem maintenance | Interchange devel | Interchange devel | Ecosystem maintenance | Interchange devel | Generalized benchmarking | Generalized benchmarking | Generalized benchmarking | Interchange devel | Generalized benchmarking | Generalized benchmarking | YES: Something tech-forward/MLish/REST API thing? ML optimization machinery/FB replacement? OpenFE support/subcontract? | Back to school | smee-evaluator? | smee-evaluator? | ||||||||||||||||||||||||||
18 | 60% | VU coordination | VU coordination | System devel | System devel | System devel | System devel | System devel | VU coordination | VU coordination | VU coordination | VU coordination | Ecosystem maintenance | Interchange devel | Update IC for toolkit refactor | Update IC for toolkit refactor | cap and charge or NN | cap and charge or NN | cap and charge or NN | cap and charge or NN | cap and charge or NN | Generalized benchmarking | Generalized benchmarking | Interchange support | Interchange support | ForceBalance fork | ForceBalance fork | Interchange support | Port plugins to Interchange | Ecosystem maintenance | Interchange devel | Pydantic updates | Pydantic updates | CCPBioSim | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Interchange devel | Interchange devel | Interchange devel | Ecosystem maintenance | Interchange devel | Interchange devel | NO: Open-ended interoperability (eg anton/desmond just for the sake of it). CHARMM GUI. More VU. Short-term employee management for interop. | Back to school | SystemGenerator | SystemGenerator | ||||||||||||||||||||||||||
19 | 40% | Toolkit maintenance | Toolkit maintenance | VU coordination | VU coordination | VU coordination | VU coordination | VU coordination | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Vacation | Psi4 conda-forge | Psi4 conda-forge? | Psi4 conda-forge? | Interchange support | Ecosystem maintenance | Interchange support | Interchange support | Generalized benchmarking | Followup workshop | Interchange support | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Annual meeting prep | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Vacation | Ecosystem maintenance | Ecosystem maintenance | Vacation | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Annual meeting prep | Ecosystem maintenance | Ecosystem maintenance | SystemGenerator | SystemGenerator | ||||||||||||||||||||||||||||
20 | 20% | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Vacation | Vacation | Vacation | Holidays | Holidays | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Vacation | Ecosystem maintenance | Ecosystem maintenance | SciPy/ Vacation | Ecosystem maintenance | Ecosystem maintenance | Holidays | Holidays | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Annual meeting | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Vacation | USRSE meeting | Holidays | Holidays | Vacation | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Annual meeting | Ecosystem maintenance | Ecosystem maintenance | Holidays | Holidays | SystemGenerator | SystemGenerator | ||||||||||||||||||||||||||
21 | OFF Toolkit | OpenMM 7.6 followup | OFF Toolkit | Psi4 conda-forge deps? | Psi4 conda-forge deps? | Ecosystem maintenance | Interchange regression testing | Interchange regression testing | Interchange regression testing | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
22 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
23 | Josh Mitchell | 2021 | 2022 (Working version) | 2023 | 2024 | 2025 | 2026 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
24 | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | ||
25 | 75% | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | BespokeFit ownership | Ecosystem maintenance | Nagl docs | BespokeFit ownership | BespokeFit ownership | BespokeFit ownership | BespokeFit ownership | OpenFE work | OpenFE work | OpenFE work | BespokeFit ownership | CZI application | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Annual meeting prep | Pablo/PTM support | Pablo/PTM support | Pablo/PTM support | Workshops + demos | Interchange vsite validation | Interchange vsite validation | ||||||||||||||||||||||||||||||||||||||||
26 | 50% | MyST transition | Examples / users guide | Examples / users guide | Examples / users guide | Examples / users guide | Interchange users guide | Interchange users guide | Bespokefit users guide | QCSubmit users guide | QCSubmit users guide | Docs/ Examples | Docs/ Examples | Docs/ Examples | Bespoke release support | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Docs/ Examples | Ecosystem maintenance | Ecosystem maintenance | BespokeFit ownership | Nagl docs | Nagl docs | BespokeFit updates | Central docs | Central docs | OpenFE work | OpenFE work | OpenFE work | Ecosystem maintenance | CZI application | Workshops + demos | Workshops + demos | Workshops + demos | Workshops + demos | Ecosystem maintenance | Back to school | Workshops + demos | Workshops + demos | Workshops + demos | Science team | Science team | Science team | Science team | ||||||||||||||||||||||||||||
27 | 34% | Onboarding | Ecosystem maintenance | MyST transition | Examples / users guide | Examples / users guide | Examples / users guide | Toolkit showcase | Interchange users guide | Interchange users guide | Bespokefit users guide | Bespokefit users guide | QCSubmit users guide | Docs/ Examples | Docs/ Examples | Bespoke release support | Ecosystem maintenance | Annual workshop prep | Ecosystem maintenance | Ecosystem maintenance | Followup workshop | Followup workshop | Ecosystem maintenance | BespokeFit ownership | BespokeFit ownership | Nagl docs | Nagl docs | Central docs | Annual meeting prep | Central docs | OpenFE work | OpenFE work | OpenFE work | CZI application | Sick | Workshops + demos | Workshops + demos | Workshops + demos | Workshops + demos | Annual meeting prep | Annual meeting prep | Back to school | Workshops + demos | Workshops + demos | Workshops + demos | Science team | Science team | Science team | Science team | |||||||||||||||||||||||||
28 | 17% | Onboarding | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Holidays | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Vacation | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | Ecosystem maintenance | BespokeFit ownership | Holidays | Nagl docs | Nagl docs | Nagl docs | Central docs | Annual meeting | Central docs | OpenFE work | OpenFE work | OpenFE work | Sick | Sick | Holidays | Workshops + demos | Workshops + demos | Ecosystem maintenance | Ecosystem maintenance | Annual meeting | Holidays | Holidays | Workshops + demos | Workshops + demos | Science team | Science team | Science team | Science team | |||||||||||||||||||||||||
29 | BespokeFit connectivity check PR | BespokeFit connectivity check PR | Followup workshop | Followup workshop | YES: Youtube videos that make software approachable, answer toy research questions. Non-python projects that can be done in Rust. Refactoring scientific code. | Workshops + demos | Possibly some/all of this time on CZI EOSS | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
30 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
31 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
32 | Interchange devel | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
33 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
34 | David Dotson | 2021 | Updated Sept 20 2021 | 2022 (Working version) | 2023 | 2024 | 2025 | 2026 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
35 | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | ||
36 | 50% | Industry benchmark | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
37 | 34% | Industry benchmark | Industry benchmark | Industry benchmark | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | PLB on F@H | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | QCArchive queue mgmt | QCArchive queue mgmt | PLB on F@H | PLB on F@H | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | |||||||||||||||||||||||||||||||||||||
38 | 17% | Industry benchmark | Industry benchmark | Industry benchmark | Industry benchmark | Industry benchmark | Industry benchmark | QCArchive queue mgmt | Vacation | Vacation | Vacation | Holidays | Holidays | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | QCArchive queue mgmt | Conference/ Vacation | QCArchive queue mgmt | QCArchive queue mgmt | SciPy/ Vacation | QCArchive queue mgmt | QCArchive queue mgmt | Holidays | Holidays | QCArchive queue mgmt | PLB on F@H | Alchemiscale | QCArchive queue mgmt | Annual meeting | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Alchemiscale | Holidays | |||||||||||||||||||||||||||||||||||||
39 | Industry benchmark | Industry benchmark | Industry benchmark | Industry benchmark | Industry benchmark | PLB on F@H | PLB on F@H | QCSubmit updating | QCSubmit updating | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
40 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
41 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
42 | Trevor Gokey | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
43 | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
44 | 50% | Science support | FF research | FF research | FF research | FF research | FF research | FF research | FF research | FF research | FF research | FF research | FF research | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
45 | 40% | QCA dataset standards | FF research | FF research | FF research | FF research | FF research | FF research | FF research | FF research | FF research | Science support | Science support | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
46 | 20% | QCA dataset standards | Science support | Science support | Science support | Science support | Science support | Science support | Science support | Science support | Science support | Holidays | Holidays | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
47 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
48 | Iván Pulido | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
49 | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
50 | 100% | Onboarding | Biopolymer infra | Biopolymer infra | Biopolymer infra | Biopolymer infra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
51 | 80% | Onboarding | Biopolymer infra | Biopolymer infra | Biopolymer infra | Biopolymer infra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
52 | 60% | Biopolymer infra | Biopolymer infra | Biopolymer infra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
53 | 40% | Biopolymer infra | Biopolymer infra | Biopolymer infra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
54 | 20% | Biopolymer infra | Biopolymer infra | Biopolymer infra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
55 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
56 | Meghan Osato | 2023 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
57 | Jan | Feb | Mar | Apr | May | Jun | Jul | Aug | Sep | Oct | Nov | Dec | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
58 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
59 | 50% | PLB on F@H | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
60 | 25% | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | PLB on F@H | Holidays | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
61 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
62 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
63 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
64 | Possible: | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
65 | Molecule refactor (JW/6 EWs) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
66 | Automated FF evaluation/dataset generator (?? / ?? EWs) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
67 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
68 | Refactor all of OFFTK to be pydantic-based (JW/MT - 10 EWs) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
69 | Make a production fitting pipeline using ML framework (10 EWs) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
70 | openff-benchmark refactor + persistent benchmark data strategy + dashboard (15 EWs) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
71 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
72 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
73 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
74 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
75 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
76 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
77 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
78 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
79 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
80 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
81 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
82 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
83 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
84 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
85 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
86 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
87 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
88 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
89 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
90 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
91 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
92 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
93 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
94 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
95 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
96 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
97 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
98 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
99 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
100 |