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1. RolnickLab/ocp RolnickLab/ocp Public

   Forked from FAIR-Chem/fairchem

   FAENet code and training, based on OCP.

   Python 5 2

2. vict0rsch/faenet vict0rsch/faenet Public

   Python 33 2

3. GraphSVX GraphSVX Public

   Explanation method for Graph Neural Networks (GNNs)

   Python 60 17

4. HoscPool HoscPool Public

   Higher-order clustering and pooling for GNNs

   Python 8

5. alexduvalinho.github.io alexduvalinho.github.io Public

   HTML

6. phast phast Public

   Forked from vict0rsch/phast

   PyTorch implementation for PhAST: Physics-Aware, Scalable and Task-specific GNNs for Accelerated Catalyst Design

   Python