Release 0.9.3

See change log for details.

What's Changed

• Fix endstate validation handling in PointMutationExecutor by @schallerdavid in #866
• Remove hacks now that upstream has updated packages by @mikemhenry in #868
• Removed travis CI config file by @mikemhenry in #871
• Fix naked charge padding by @zhang-ivy in #877
• Fix stochastic failures in RepartitionedHybridTopologyFactory test by @zhang-ivy in #878
• Running examples with GPU using docker container. by @ijpulidos in #874
• Use mamba instead of conda by @mikemhenry in #850
• Test new python versions by @mikemhenry in #880
• Simplify _construct_atom_map for protein mutations by @zhang-ivy in #860
• use beta of openeye toolkit by @mikemhenry in #887
• Add GPU testing to our CI by @mikemhenry in #858
• Allow generate_dipeptide_top_pos_sys to accept demap_CBs by @zhang-ivy in #892
• add installation instructions to readme by @mikemhenry in #893
• Remove unused argument 'implicitSolvent' from SystemGenerator in tests by @mikemhenry in #894
• Disable CI failure if codecov fails by @mikemhenry in #898
• Only support openmm 7.6 by @mikemhenry in #896
• update CI to test release candidate by @mikemhenry in #787
• Fix box vector handling in topology proposal by @zhang-ivy in #922
• Fix atom masses in vanilla HybridTopologyFactory by @zhang-ivy in #918
• Fix water selection for counterion by @zhang-ivy in #905
• Add scripts to perform automated benchmarking against Open Force Field protein-ligand benchmarks by @ijpulidos in #924
• Update contributors list by @jchodera in #930
• Release/0.9.3 by @mikemhenry in #925

Benchmark Data

• tyk2 system, using openff-2.0.0:

  • 5ns/replica
    
  • 1ns/replica
    

• mcl1 system, using openff-2.0.0:

  • 5ns/replica
    

New Contributors

• @schallerdavid made their first contribution in #866

Full Changelog: 0.9.2...0.9.3