Skip to content

Releases: h3-Open-BDEC/pyg_botan

dataloader support for "unwrapped" coordinates

03 Aug 03:49
Compare
Choose a tag to compare

plus other small fixes ( replacement of deprecated "numpy.bool", and etc. )

BOTAN - (node + edge) simultaneous learning

10 Nov 06:25
ace8976
Compare
Choose a tag to compare

Implementation of simultaneous learning of relative motion between neighbors (edge feature) and particle self-motion (node feature), which enables precise prediction of glassy dynamics. Model parameters pretrained on edges are also provided.

v0.1.0

29 Jun 01:55
9e6de62
Compare
Choose a tag to compare
Update README.md