File | Size | Commit | Date |
---|---|---|---|
analysis | Initial commit | 2025-04-19 | |
colab | Initial commit | 2025-04-19 | |
configs | Initial commit | 2025-04-19 | |
data | Initial commit | 2025-04-19 | |
equivariant_diffusion | Initial commit | 2025-04-19 | |
example | Initial commit | 2025-04-19 | |
img | Initial commit | 2025-04-19 | |
.gitattributes | 4.1 kB | Initial commit | 2025-04-19 |
LICENSE | 1.1 kB | Initial commit | 2025-04-19 |
README.md | 12.9 kB | Update README | 2025-04-30 |
constants.py | 16.2 kB | Initial commit | 2025-04-19 |
dataset.py | 2.7 kB | Initial commit | 2025-04-19 |
generate_ligands.py | 2.3 kB | Initial commit | 2025-04-19 |
geometry_utils.py | 4.2 kB | Initial commit | 2025-04-19 |
inpaint.py | 9.0 kB | Initial commit | 2025-04-19 |
lightning_modules.py | 38.2 kB | Initial commit | 2025-04-19 |
optimize.py | 9.6 kB | Initial commit | 2025-04-19 |
process_bindingmoad.py | 25.3 kB | Initial commit | 2025-04-19 |
process_crossdock.py | 17.1 kB | Initial commit | 2025-04-19 |
test.py | 7.3 kB | Initial commit | 2025-04-19 |
train.py | 4.0 kB | Initial commit | 2025-04-19 |
utils.py | 7.2 kB | Initial commit | 2025-04-19 |