public code release - #6

Merged

alstonlo merged 15 commits into

mainfrom

Jun 12, 2026

Commits on Jun 11, 2026

Inference + molab demo (#3)

authored
fdc0313
ruff format
LukaMucko
committed
f9d04b2
GIF with more frames, sync molab notebook (#4)
LukaMucko
authored
7fa3f77
small tweaks
auhcheng
committed
844ef68
release source code under MIT license, but model weights under CC BY-NC 4.0
auhcheng
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b9680c3
authorship and phrasing change
LukaMucko
committed
f962144
authorship and phrasing change
LukaMucko
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862b757
guard py3Dmol imports
auhcheng
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69e9ee1
make sure "Denoising:" pbar is visible
auhcheng
committed
6cf02f0
unit cell language, no Z, move button
auhcheng
committed
01d4d6d
batched trajectory sampling, progress bar, fix center-of-mass jitter in trajectory
auhcheng
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a866abe
default to clari-h, print model and device from cli, default to export cifs immediately after sampling
auhcheng
committed
7f49c57
more inference changes (#5)
LukaMucko
authored
d69d098
more inference changes (#5)
LukaMucko
committed
661ad82

Commits on Jun 12, 2026

typos
LukaMucko
committed
987f0ca