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this will fail if naming is not something_cosolvname_something. Maybe pass 2 list and zip them together

#43

· mallanos opened

on Mar 5, 2025

Generated system is sometime unstable, potential issue with the estimation of protein and cosolvent radii?

#42

· Cucco23 opened

on Feb 8, 2025

Issue with CosolvKit Code on Google Colab

#35

· pablo-arantes opened

on Nov 11, 2024

Issues in example

#33

· mattholc opened

on Oct 14, 2024

Missing essential files under results/ when trying the example code.

#32

· boyuanmby opened

on Oct 8, 2024

Add parsers for MD engines' log files

#26

· nbruciaferri opened

on Aug 2, 2024

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Empirical energy estimations

#25

· nbruciaferri opened

on Aug 2, 2024

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Cosolvent molecules interactions mapping (by atom)

#24

· nbruciaferri opened

on Aug 2, 2024

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Cosolvent molecules dwell times

#23

· nbruciaferri opened

on Aug 2, 2024

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Representative Structures for trajectories

#22

· nbruciaferri opened

on Aug 2, 2024

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Add support of building cosolvent simulations that have a membrane and cosolvents but no protein

good first issue

#19

· allisonbarkdull opened

on Jul 30, 2024

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