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pypi

graph-pes

train and use graph-based ML models of potential energy surfaces

Activity

Latest release
1mo ago
Total releases
54
Cadence
~2 days
Last 12 months
5

Reach

Stars
130

Details

License
custom
First release
Jan 17, 2024
Releases
Version Released
1.0.2 patch
1.0.1 patch
1.0.0 major
0.2.5 patch
0.2.4 patch
0.2.3 patch
0.2.2 patch
0.2.1 patch
0.2.0 minor
0.1.8 patch
0.1.7 patch
0.1.6 patch
0.1.5 patch
0.1.4 patch
0.1.3 patch
0.1.2 patch
0.1.1 patch
0.1.0 minor
0.0.36 patch
0.0.35 patch
0.0.34 patch
0.0.33 patch
0.0.32 patch
0.0.31 patch
0.0.30 patch
0.0.29 patch
0.0.28 patch
0.0.27 patch
0.0.26 patch
0.0.25 patch
0.0.24 patch
0.0.23 patch
0.0.22 patch
0.0.21 patch
0.0.20 patch
0.0.19 patch
0.0.18 patch
0.0.17 patch
0.0.16 patch
0.0.15 patch
0.0.14 patch
0.0.13 patch
0.0.12 patch
0.0.11 patch
0.0.10 patch
0.0.9 patch
0.0.8 patch
0.0.7 patch
0.0.6 patch
0.0.5 patch
1–50 of 54