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Pull requests: choderalab/asapdiscovery

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Pull requests list

[WIP] move to M1 runner
#1016 opened Apr 26, 2024 by hmacdope Loading…
1 task
1
1
Add variant transfer prepper v2
#1013 opened Apr 25, 2024 by apayne97 Loading…
6 of 12 tasks
5
Optimization for asap-alchemy status -a
#1011 opened Apr 25, 2024 by dotsdl Loading…
1 of 2 tasks
2
asap-docking | Correctly save multipose docking results
#1009 opened Apr 24, 2024 by apayne97 Loading…
4 of 7 tasks
1
3
[DNM] asap-data Fix empty ligand to_oemol() error
small
#998 opened Apr 18, 2024 by apayne97 Loading…
3 of 5 tasks
1
6
Compatibility testing for openfe and gufe 1.0
#967 opened Apr 11, 2024 by dotsdl Loading…
1 of 2 tasks
1
[DNM] Test OpenFE and GUFE 1.0.0rc1
#930 opened Mar 29, 2024 by mikemhenry Loading…
1 of 4 tasks
1
[WIP] Add zikv helicase
#926 opened Mar 28, 2024 by JenkeScheen Loading…
1 of 3 tasks
2
[WIP] Autodetect available ML models in workflows, and provide more fine grained control over selected models
#914 opened Mar 20, 2024 by hmacdope • Draft
1 of 3 tasks
2
1
make plotmol take in categories
#902 opened Mar 6, 2024 by JenkeScheen Loading…
1 of 2 tasks
2
[DNM] add docking workflow abstraction rough draft
#596 opened Nov 8, 2023 by apayne97 • Draft
3 tasks
1
1
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