Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ ZENODOarrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2025
License: CC BY
Data sources: ZENODO
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Software . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Software . 2025
License: CC BY
Data sources: Datacite
ZENODO
Software . 2025
License: CC BY
Data sources: Datacite
 View all 2 versions
Claim

facebookresearch/fairchem: fairchem-core-2.2.0

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 22 Apr 2025Publisher:Zenodo
Authors: Muhammed Shuaibi; Abhishek Das; Anuroop Sriram; Misko; Luis Barroso-Luque; Ray Gao; Siddharth Goyal; +22 Authors
Code repository: https://github.com/facebookresearch/fairchem/tree/fairchem_core-2.2.0

doi: 10.5281/zenodo.15587498 , 10.5281/zenodo.19687080

facebookresearch/fairchem: fairchem-core-2.2.0

Abstract

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_checkpoint classmethod (#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

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average