gpuma
Minimalistic geometry optimizer for molecules using the UMA MLIP models. Allows for single structure and batch optimization, both sequential and in parallel batches on GPUs.
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Activity
- Latest release
- 2w ago
- Total releases
- 6
- Cadence
- ~2 months
- Last 12 months
- 6
Reach
- Stars
- 5
Details
- License
- MIT
- First release
- Feb 04, 2026
Releases
| Version | Released | |
|---|---|---|
0.8.1
patch
| ||
0.8.0
minor
| ||
0.7.0
minor
| ||
0.6.0
minor
| ||
0.5.1
patch
| ||
0.5.0
initial
|