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Milestone | Owner | Deadline/Date | Status | ||||||
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Meeting with industry partners; gather comprehensive requirements/desires | Oct. 23 |
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Software approach decision settled; ready for execution | Nov. 1 |
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Call for public datasets from industry partners | Nov. 5 |
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Approach ready for testing by David Hahn, Bill Swope | Dec. 15 |
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Protocol feature-complete | Jan. 15 |
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Present protocol to partners | Jan. 22 |
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Deployment at industry partner sites; protocol burn-in on test set | Jan. 25 |
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First production runs at industry partner sites initiated |
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Publicly-sharable exports submission open |
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Season 1 campaign complete and closed | Jul. 8 |
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Results
Results can be retrieved from the OpenFF Public Drop Zone.
Reference materials
Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields
Geometry Optimization Benchmark - Season 1 : Announcement Stream
Meeting Notes
2020-11-11 Benchmarking for Industry Partners - Development Meeting notes
2020-11-18 Benchmarking for Industry Partners - Development Meeting notes
2020-11-25 Benchmarking for Industry Partners - Development Meeting notes
2020-12-02 Benchmarking for Industry Partners - Development Meeting notes
2020-12-09 Benchmarking for Industry Partners - Development Meeting notes
2020-12-16 Benchmarking for Industry Partners - Development Meeting notes
2021-01-06 Benchmarking for Industry Partners - Development Meeting notes
2021-01-13 Benchmarking for Industry Partners - Development Meeting notes
2021-01-27 Benchmarking for Industry Partners - Development Meeting notes
2021-02-03 Benchmarking for Industry Parnters - Development Meeting notes
2021-02-10 Benchmarking for Industry Partners - Development Meeting notes
2021-02-17 Benchmarking for Industry Partners - Development Meeting notes
2021-02-24 Benchmarking for Industry Partners - Development Meeting notes
2021-03-03 Benchmarking for Industry Partners - Development Meeting notes
2021-03-10 Benchmarking for Industry Partners - Development Meeting notes
2021-03-17 Benchmarking for Industry Partners - Development Meeting notes
2021-04-07 Benchmarking for Industry Partners - Development Meeting notes
2021-04-14 Benchmarking for Industry Partners - Development Meeting notes