guanjq/confopt_official guanjq/confopt_official

  • Stars
    star
    37
  • Rank 720,807 (Top 15 %)
  • Language
    Python
  • License
    MIT License
  • Created almost 3 years ago
  • Updated about 2 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
guanjq/confopt_official
github

guanjq

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)

More Repositories

1

targetdiff

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
Python
196
star
2

LinkerNet

The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
Python
8
star