Open Force Field

Oct

10

Industry Benchmark Dataset and More from QCArchive now Available on Zenodo

6 min read

Jul

24

Why We Should Drop (Graph-based) Bond Order and No Longer Use Aromaticity

6 min read

Jun

30

A Swiss Army Knife for Conda Issues - Re-create Your Environment

6 min read

Mar

10

What's up with OpenFF?

4 min read

Jan

13

Six steps to success when reporting open-source computational chemistry issues

7 min read