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1. chemeleon chemeleon Public

   A text-guided diffusion model for crystal structure generation

   Python 29 3

2. MOFTransformer MOFTransformer Public

   Universal Transfer Learning in Porous Materials, including MOFs.

   Python 86 13

3. MOFreinforce MOFreinforce Public

   A Reinforcement Framework for Inverse Design of MOFs

   Python 24 4

4. crystal-gnn crystal-gnn Public

   A Benchmarking Framework for Crystal GNNs

   Python 17 3

5. fast-grid fast-grid Public

   fast voxel grid calculation

   Python 6

6. crystal-gnn-pyg crystal-gnn-pyg Public

   Python 1