AITRICS / FREED
Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
☆51Updated 2 years ago
Related projects ⓘ
Alternatives and complementary repositories for FREED
- generative model for drug discovery☆58Updated last year
- The implementation of Modof for Molecule Optimization☆27Updated last year
- MCMG_V1☆69Updated last year
- ☆48Updated 2 years ago
- graph generative model for molecule☆37Updated 4 years ago
- ☆37Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆45Updated 2 years ago
- A novel hybrid method for generating molecules with desired property scores.☆41Updated 3 years ago
- Useful functions for working with small molecules☆40Updated last month
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Predicting Organic Reactivity with LocalTransform☆37Updated 4 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆40Updated 3 months ago
- ☆24Updated 10 months ago
- PIGNet source code☆49Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆103Updated last year
- Papers about Structure-based Drug Design (SBDD)☆85Updated 2 weeks ago
- ☆16Updated last year
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆51Updated last year
- ☆32Updated 2 years ago
- 3D_Molecular_Generation☆79Updated last year
- ☆56Updated last year
- ☆67Updated 2 years ago
- ☆52Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆28Updated 9 months ago
- Molecule Optimization via Fragment-based Generative Models☆39Updated last year
- ☆66Updated 4 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 4 years ago
- ☆63Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago