ilguyi / LAIDD-molecular-generation
☆16Updated last year
Alternatives and similar repositories for LAIDD-molecular-generation:
Users that are interested in LAIDD-molecular-generation are comparing it to the libraries listed below
- PIGNet source code☆51Updated 3 years ago
- ☆17Updated 4 years ago
- ☆8Updated 6 months ago
- graph generative model for molecule☆39Updated 5 years ago
- ☆32Updated 3 years ago
- ☆11Updated last week
- PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)☆30Updated 5 years ago
- ☆37Updated 4 years ago
- ☆10Updated 2 years ago
- 3D diverse conformers generation using rdkit☆24Updated 3 years ago
- ☆18Updated 2 months ago
- Molecular vectorization and batch generation☆51Updated 4 years ago
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆26Updated 9 months ago
- ☆56Updated 2 years ago
- ☆25Updated 5 years ago
- RF-Score-VS binary☆31Updated 6 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆25Updated last year
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Updated 2 years ago
- ☆22Updated last year
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- ☆42Updated 2 years ago
- ☆32Updated 11 months ago
- ☆37Updated 4 years ago
- CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism☆24Updated 2 years ago
- This repository includes weekly reports submitted as in-class assignment of 2018 CH485☆10Updated 6 years ago
- Kinase-focused fragment library☆64Updated last month
- ☆12Updated 4 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 4 years ago