595693085 / ProteinDescriptor
a protein descriptor for site prediction
☆16Updated 5 years ago
Alternatives and similar repositories for ProteinDescriptor:
Users that are interested in ProteinDescriptor are comparing it to the libraries listed below
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 3 years ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆17Updated 2 months ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆21Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated 3 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆39Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated last year
- Scoring methods for predicting the DDG upon protein mutation☆13Updated last year
- PCA and normal mode analysis of proteins☆17Updated 8 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆21Updated last month
- Interface-aware molecular generative framework for protein-protein interaction modulators☆11Updated 3 weeks ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆18Updated 2 months ago
- ☆9Updated last year
- Prediction of Protein-Small molecule binding affinities☆16Updated 3 months ago
- MEGADOCK on Google Colaboratory☆14Updated last year
- Model to predict kinase-ligand pKi values.☆12Updated last year
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing☆22Updated 3 years ago
- ☆16Updated 10 months ago
- ☆16Updated 2 years ago
- ☆14Updated 2 years ago
- De novo design of small molecule binding sites into proteins☆13Updated 3 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Updated 2 years ago
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆13Updated 7 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆14Updated 3 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆13Updated 3 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 8 months ago