wangxr0526 / RetroPrimeLinks
Code for Single-step Retrosynthesis model Retroprime
☆39Updated 4 years ago
Alternatives and similar repositories for RetroPrime
Users that are interested in RetroPrime are comparing it to the libraries listed below
Sorting:
- ☆70Updated last year
- ☆64Updated 4 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆59Updated last year
- MGA☆44Updated 4 years ago
- The implementation of Modof for Molecule Optimization☆28Updated last year
- Contains results and data from Augmented Transformer article☆38Updated 5 years ago
- Retrosynthesis prediction for organic molecules with LocalRetro☆98Updated last year
- Implementation of MolSearch paper☆22Updated last year
- graph generative model for molecule☆39Updated 5 years ago
- ☆58Updated 2 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- ☆16Updated 5 years ago
- A simple molecule fragmentation method.☆36Updated last year
- ☆84Updated 7 years ago
- ☆23Updated 2 years ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆79Updated last year
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆62Updated last year
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆76Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network