NSF Center for Computer Assisted Synthesis
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- SPiCE Public Forked from DannieSYD/SPiCE
[2025 NeurIPS] SPiCE: Symmetry-Preserving Conformer Ensemble Networks for Molecular Representation Learning"
nsf-c-cas/SPiCE’s past year of commit activity - Desulfonylative_Fluorination Public Forked from SigmanGroup/Desulfonylative_Fluorination
Modeling scripts and data associated with the Sigman-Sanford lab collaboration on desulfonylative fluorination of heteroaromatics. DOI: pending
nsf-c-cas/Desulfonylative_Fluorination’s past year of commit activity - ReactionTeam Public Forked from taichengguo/ReactionTeam
Official Code for ReactionTeam: Teaming Experts for Divergent Thinking Beyond Typical Reaction Patterns (In IEEE Conference BigData 2025 Oral)
nsf-c-cas/ReactionTeam’s past year of commit activity - InteractivePlots Public Forked from SigmanGroup/InteractivePlots
Use of HoloViews (Bokeh backend) to generate interactive models and chemical space plots
nsf-c-cas/InteractivePlots’s past year of commit activity
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