Popular repositories Loading

1. Neural-Spectral-Methods Neural-Spectral-Methods Public

   [ICLR 2024] Neural Spectral Methods: Self-supervised learning in the spectral domain.

   Python 36 2

2. EScAIP EScAIP Public

   [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential

   Python 29 3

3. physics-NNs-hard-constraints physics-NNs-hard-constraints Public

   [ICLR 2024] Scaling physics-informed hard constraints with mixture-of-experts.

   Python 28 3

4. StABlE-Training StABlE-Training Public

   A repo to finetune NNIPs by training on observables

   13 1

5. CoarsenConf CoarsenConf Public

   Python 8

6. BADGER-SBDD BADGER-SBDD Public

   Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"

   5