Published June 3, 2025
| Version fairchem_core-2.2.0
Software
Open
facebookresearch/fairchem: fairchem-core-2.2.0
Authors/Creators
- Muhammed Shuaibi1
- Abhishek Das2
- anuroopsriram
- Misko
- Luis Barroso-Luque3
- Ray
- Siddharth Goyal
- zulissimeta
- Brandon Wood4
- Tian Xie5
- Junwoong Yoon6
- Brook Wander
- Adeesh Kolluru7
- Richard Barnes
- Ethan Sunshine6
- Kevin Tran8
- Xiang
- Daniel Levine2
- Nima Shoghi
- Ilias Chair
- Janice Lan
- Kaylee Tian9
- Joseph Musielewicz6
- clz55
- Weihua Hu
- Kyle Michel
- Facebook Community Bot10
- willis
- vbttchr
- 1. FAIR, Meta
- 2. FAIR, Meta AI
- 3. Fundamental AI Research, Meta
- 4. UC Berkeley
- 5. Microsoft
- 6. Carnegie Mellon University
- 7. Radical AI
- 8. Toyota Research Institute
- 9. Georgia Institute of Technology
- 10. @facebook
Description
What's Changed
This version enables batch inference and a variety of bug fixes for the calculator/predictor inference, as well as new documentation
New Features / Enhancements
- Batch inference cleanup (#1181) @lbluque
- FAIRChem calculator
from_model_checkpointclassmethod (#1203) @lbluque - allow automatic device setting when loading mlip predict units (#1202) @lbluque
- Enable local runs (#1172) @rayg1234
Bug Fixes
- add pbc v2 grid resolution bounds (#1204) @misko
- Fix bug when taskname is enum instead of str (#1223) @rayg1234
- Fix ac mole bug (#1205) @rayg1234
Documentation
- Docs cleanup & molecular info add (#1206) @zulissimeta
- version uma (#1199) @mshuaibii
Files
facebookresearch/fairchem-fairchem_core-2.2.0.zip
Files
(5.8 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:ca4693b371058ab430de51f7d98e0a15
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5.8 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/facebookresearch/fairchem/tree/fairchem_core-2.2.0 (URL)
Software
- Repository URL
- https://github.com/facebookresearch/fairchem