Scientific machine learning (SciML) benchmarks, AI for science, and (dif...
[ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dat...
The official implementation of 3D Equivariant Diffusion for Target-Aware...
[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer ...
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to ...
DrugAssist: A Large Language Model for Molecule Optimization
AI for Science