0.14.0

RaulPPelaez released this 26 Jan 11:35

· 247 commits to main since this release

What's Changed

Refactoring memmapped dataset classes by @stefdoerr in #256
correct paths for processed files. bugfix for last PR by @stefdoerr in #258
added comp6v2 dataset by @stefdoerr in #257
Unique COMP6 GDB molecule IDs by @stefdoerr in #262
Adding vector feature cutoff to ET by @RaulPPelaez in #260
Genentech torsions by @stefdoerr in #259

Full Changelog: 0.13.0...0.14.0

Contributors

stefdoerr and RaulPPelaez

Assets 2