Skip to content

v0.6.3

Choose a tag to compare

View all tags
@Xiangyan93 Xiangyan93 released this 10 Jan 04:44
· 53 commits to main since this release
v0.6.3
35d149e

Simplify the code by using the args of chemprop for DMPNN.
Set default training epoch to 30 for neural networks.

Bug fix:
Set the acquisition value of passive learning to [] instead of None.
Missing trajectory frames for checkpoint file.

Add argument:
--write_traj_stride, set the frequency to output the trajectory file.

Assets 2
Loading