595693085 / ProteinDescriptorLinks
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
Sorting:
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22Updated 3 years ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated 7 months ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆17Updated 2 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆19Updated 6 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆20Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 2 weeks ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆42Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 4 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Updated 9 years ago
- HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means☆16Updated last year
- 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
- Matrix factorization and deep learning for molecular property prediction☆13Updated 6 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Updated 2 years ago
- Paper for release☆11Updated 3 years ago
- ☆14Updated 2 years ago
- PCA and normal mode analysis of proteins☆17Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated last year
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- Web cards/apps describing peptides☆28Updated 2 years ago
- EvolveX, a de novo antibody computational design pipeline.☆11Updated 5 months ago
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- Generative RNN for molecule de novo design☆18Updated 3 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆11Updated last year