Merge pull request #39 from Exscientia/egnn-graph-attrs

EGNN graph attrs

Merge pull request #38 from Exscientia/add-updates

updated

Merge pull request #37 from Exscientia/upgrade-to-molflux-0.5.0

Upgrade to molflux 0.5.0

changelog

Merge pull request #32 from Exscientia/add-graph-attrs-col

added graph attrs

Merge pull request #31 from Exscientia/position-wrapping

Position wrapping

Merge pull request #25 from Exscientia/openmm-precision-fix

OpenMM precision fix

Merge pull request #25 from Exscientia/openmm-precision-fix

OpenMM precision fix

Merge pull request #24 from Exscientia/fix-ts-nl

fixed ts problem

changelog