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1. chemeleon chemeleon Public

   A text-guided diffusion model for crystal structure generation

   Python 33 3

2. DAC-SIM DAC-SIM Public

   A molecular simulation package integrating MLFFs in MOFs for DAC

   Python 18 3

3. MOFTransformer MOFTransformer Public

   Universal Transfer Learning in Porous Materials, including MOFs.

   Python 86 13

4. MOFreinforce MOFreinforce Public

   A Reinforcement Framework for Inverse Design of MOFs

   Python 24 5

5. crystal-gnn crystal-gnn Public

   A Benchmarking Framework for Crystal GNNs

   Python 17 3

6. fast-grid fast-grid Public

   fast voxel grid calculation

   Python 6