Top openff-toolkit issues

OpenEye adding protons to 3D molecules

bug high
connordavel picture connordavel·28 Jan 2021·8 Comments
👍1

Where did sigma go in parameter handlers?

bug high
proteneer picture proteneer·6 Mar 2020·8 Comments

Charge generation is failing

bug low error handling high
nividic picture nividic·5 Jun 2019·14 Comments

What to do when two installed offxml files have the same relative path from their respective entry points?

error handling question
andrrizzi picture andrrizzi·17 May 2019·1 Comments

Update __init__ file to not raise exception

bug low tests
bannanc picture bannanc·18 Apr 2019·2 Comments

Suggestions for new examples

question
j-wags picture j-wags·2 Apr 2019·14 Comments

Implement our own Topology - what features does it need?

question
davidlmobley picture davidlmobley·25 Nov 2017·17 Comments
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