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Pull requests: forlilab/molscrub

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Pull requests list

pka prediction using ML model.
#51 opened Feb 26, 2026 by joanimato Loading…
2
Run Molscrub as a Python .EXE file
#16 opened Feb 6, 2025 by pslacerda Loading…
2
Add the ability to use a toml file as input.
#10 opened Jan 5, 2025 by joanimato Loading…
5
Reinclude functionality to enumerate unenumerated stereoisomers
#3 opened May 8, 2024 by althea-hansel Loading…
2
ProTip! Updated in the last three days: updated:>2026-04-05.