ninglab / Modof
The implementation of Modof for Molecule Optimization
☆27Updated last year
Alternatives and similar repositories for Modof:
Users that are interested in Modof are comparing it to the libraries listed below
- Molecule Optimization via Fragment-based Generative Models☆42Updated last year
- Contains results and data from Augmented Transformer article☆37Updated 4 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆52Updated 2 years ago
- graph generative model for molecule☆39Updated 5 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Updated 4 years ago
- ☆25Updated last year
- ☆37Updated 4 years ago
- ☆52Updated 2 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- Implementation of MolSearch paper☆22Updated last year
- ☆17Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- ☆24Updated 2 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 8 months ago
- ☆26Updated 11 months ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆32Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago
- ☆56Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 11 months ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- The graph-convolutional neural network for pka prediction☆76Updated last year
- Implementation of the Kdeep Paper☆20Updated 4 years ago
- ☆54Updated last year
- A simple molecule fragmentation method.☆34Updated last year
- ☆70Updated 2 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated last year
- ☆56Updated 2 years ago
- ☆64Updated 3 years ago
- ☆15Updated 2 years ago
- generative model for drug discovery☆59Updated last year