v0.0.2

Aunity released this 09 Mar 12:57

· 295 commits to master since this release

3a8cab3

What's Changed

doc: change function name from "hmtmmpbsa" to "hmtpbsa" by @SerendipityPKU in #1
refactor pbsa calculate pipeline and add MD simulation module by @Aunity in #2

New Contributors

@SerendipityPKU made their first contribution in #1
@Aunity made their first contribution in #2

Full Changelog: https://github.com/dptech-corp/Hermite-MMPBSA/commits/v0.0.2

Contributors

Aunity and zhengh96

Assets 2