devalab / CIGINLinks
AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
☆35Updated 3 years ago
Alternatives and similar repositories for CIGIN
Users that are interested in CIGIN are comparing it to the libraries listed below
Sorting:
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆24Updated last year
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Updated 2 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Updated 3 years ago
- ☆26Updated last year
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 4 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)