ninglab / ModofLinks
The implementation of Modof for Molecule Optimization
☆29Updated 2 years ago
Alternatives and similar repositories for Modof
Users that are interested in Modof are comparing it to the libraries listed below
Sorting:
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Implementation of MolSearch paper☆22Updated 2 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- ☆16Updated 2 years ago
- graph generative model for molecule☆39Updated 5 years ago
- ☆26Updated last year
- ☆57Updated 3 years ago
- ☆39Updated 4 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- ☆60Updated 2 years ago
- Contains results and data from Augmented Transformer article☆38Updated 5 years ago
- ☆28Updated last year
- ☆55Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- Code for Single-step Retrosynthesis model Retroprime☆40Updated 4 years ago
- ☆23Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆48Updated 2 years ago
- ☆28Updated 2 years ago
- generative model for drug discovery☆65Updated 2 months ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 2 years ago
- ☆62Updated last year
- ☆25Updated 5 years ago
- Molecular SMILE generation with recurrent neural networks☆20Updated 2 months ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago