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Pull requests: cole-group/FEgrow

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Pull requests list

add autofegrow.py tutorial for multiple receptors
#118 opened Dec 4, 2025 by AsmaFeriel000 Contributor Loading…
1
add 3_tutorial_read_from_smiles.ipynb
#117 opened Dec 4, 2025 by AsmaFeriel000 Contributor Loading…
Add other MLPs
#115 opened Nov 11, 2025 by fjclark Collaborator Loading…
3 tasks
1
17
Fix issue #100
#113 opened Nov 10, 2025 by chikitng Loading…
@BenCree
12
Cli cleanup
#65 opened Jan 18, 2024 by jthorton Member • Draft
1 task
3
Qed plip
#56 opened Nov 21, 2023 by BenCree Collaborator Loading…
changed index of conformers in gnina function to match pymol indexing
#28 opened Mar 21, 2023 by BenCree Collaborator Loading…
2
ProTip! What’s not been updated in a month: updated:<2026-03-20.