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1. MOFTransformer MOFTransformer Public

   Universal Transfer Learning in Porous Materials, including MOFs.

   Python 85 12

2. MOFreinforce MOFreinforce Public

   A Reinforcement Framework for Inverse Design of MOFs

   Python 24 3

3. crystal-gnn crystal-gnn Public

   A Benchmarking Framework for Crystal GNNs

   Python 16 3

4. fast-grid fast-grid Public

   fast voxel grid calculation

   Python 6

5. diffusion_world diffusion_world Public

   a Pytorch implementation of diffusion models

   Python 5

6. MOFtextminer MOFtextminer Public

   Forked from Molsim-Group/MOFtextminer

   Text mining synthesis information in metal organic framework

   Python 2 1