Bayer-Group / CPMolGAN
☆8Updated 2 years ago
Alternatives and similar repositories for CPMolGAN
Users that are interested in CPMolGAN are comparing it to the libraries listed below
Sorting:
- Predicting assays Using Morphological Analysis☆14Updated 11 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- ☆12Updated 4 months ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- ☆48Updated last year
- ☆38Updated 6 months ago
- ☆51Updated 2 years ago
- Cross-modal generation of molecules from gene expression inputs. (Briefings in Bioinformatics 2024)☆11Updated last week
- Python package for InfoAlign☆12Updated 7 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆90Updated 5 months ago
- Recursion's molecular foundation model☆49Updated 7 months ago
- insitro's repository for public research code and data☆23Updated 2 weeks ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- Code and models for Molecule-Morphology Contrastive Pretraining (MoCoP)☆12Updated last year
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- ☆48Updated 4 months ago
- substructure search in large combinatorial spaces using openchemlib☆21Updated 4 months ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆13Updated 6 months ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆62Updated 2 months ago
- Reaction SMILES-AA mapping via language modelling☆29Updated 8 months ago
- Official Implementation of CompassDock☆18Updated 7 months ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆36Updated 2 years ago
- Deep learning datasets for RNA 3D and 2.5D structures.☆34Updated this week
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆63Updated last month
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆36Updated 2 years ago
- Speed virtual screening by 50X☆93Updated 2 years ago
- ☆38Updated 4 years ago
- Useful functions for working with small molecules☆50Updated 4 months ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40Updated 5 years ago