i-Molecule / bitenetLinks
Spatiotemporal identification of druggable binding sites using deep learning
☆22Updated 4 years ago
Alternatives and similar repositories for bitenet
Users that are interested in bitenet are comparing it to the libraries listed below
Sorting:
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago
- ☆14Updated 4 years ago
- Kinome-wide structural pocket similarity☆10Updated 3 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Updated 9 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- Model to predict kinase-ligand pKi values.☆12Updated 2 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 5 years ago
- ☆32Updated last year
- ☆37Updated 4 years ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆35Updated 4 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- ☆37Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- Protein surface topographical mapping tool☆28Updated 2 years ago
- ☆17Updated 3 years ago
- GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)☆16Updated 2 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆30Updated 6 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Generative RNN for molecule de novo design☆20Updated 4 years ago
- ☆25Updated last month
- ☆27Updated 2 years ago
- ☆41Updated 5 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 4 years ago
- development repository for PyInteraph2☆22Updated 10 months ago
- Code for ApoDock☆21Updated 9 months ago
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆31Updated 4 years ago
- Extended Connectivity Interaction Features☆31Updated 4 years ago