eyalmazuz / MolGenLinks
☆25Updated 3 months ago
Alternatives and similar repositories for MolGen
Users that are interested in MolGen are comparing it to the libraries listed below
Sorting:
- ☆167Updated 3 years ago
- ☆58Updated 2 years ago
- MCMG_V1☆75Updated 2 years ago
- ☆34Updated 2 years ago
- graph generative model for molecule☆39Updated 5 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆64Updated last year
- ☆161Updated 2 years ago
- De Novo Drug Design with RNNs and Transformers☆151Updated 10 months ago
- Code for "RGFN: Synthesizable Molecular Generation Using GFlowNets" (NeurIPS 2024)☆26Updated 3 months ago
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆81Updated last year
- ☆131Updated 2 years ago
- 3D_Molecular_Generation☆100Updated 10 months ago
- ☆38Updated last year
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆197Updated last week
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆61Updated 3 weeks ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆90Updated 4 years ago
- ☆53Updated 3 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆66Updated 10 months ago
- ☆95Updated last year
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆193Updated 7 months ago
- ☆67Updated 2 years ago
- ☆108Updated 2 years ago
- ☆58Updated 6 months ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- Trained caffe models☆94Updated 2 years ago
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning☆19Updated 2 years ago
- ☆62Updated last year
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Updated 5 years ago
- The graph-convolutional neural network for pka prediction☆88Updated last year
- ☆69Updated last year