Popular repositories Loading

1. MatFold MatFold Public

   Package for systematic insights into materials discovery models’ performance through standardized chemical cross-validation protocols

   Python 11 1

2. mlip-cleavage-benchmark mlip-cleavage-benchmark Public

   Benchmark for Machine Learning Interatomic Potentials (MLIPs) on surface stability and cleavage energy predictions

   Python 6

3. website website Public

   Website of D2R2 Group

   TeX 2

4. FIRE-GNN FIRE-GNN Public

   FIRE-GNN is a force-informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures.

   Python 2

5. WF-RF-Model WF-RF-Model Public

   Random Forest ML model to predict the work function of surfaces with physics-based descriptors

   Python 1

6. MATL7355 MATL7355 Public

   Website for the course MATL 7355, Thermodynamics of Materials, taught by Asst. Prof. Peter Schindler.

   SCSS