595693085 / ProteinDescriptorLinks
a protein descriptor for site prediction
☆16Updated 6 years ago
Alternatives and similar repositories for ProteinDescriptor
Users that are interested in ProteinDescriptor are comparing it to the libraries listed below
Sorting:
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22Updated 3 years ago
- ☆15Updated 5 years ago
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- ☆30Updated 4 months ago
- Protein-protein binding affinity benchmark☆15Updated 7 months ago
- Computational Analysis of Novel Drug Opportunities☆39Updated 2 weeks ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- Structural space exploration of AlphaFold DB☆12Updated 4 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆26Updated 6 months ago
- ☆13Updated 4 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- EvolveX, a de novo antibody computational design pipeline.☆12Updated 2 weeks ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- Protein common interface databases☆10Updated 6 years ago
- ☆18Updated last year
- MEGADOCK on Google Colaboratory☆18Updated 2 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- ☆17Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- Binding Affinity Prediction using Deep learning models☆12Updated 4 years ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated 11 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆32Updated last year
- ABC of chemoinformatics☆18Updated 7 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- some tools for working with protein (PDB) files in tensorflow☆11Updated 6 years ago
- ☆14Updated 3 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 2 years ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Updated 5 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆23Updated 2 years ago