azamanos / HydraProtLinks
☆20Updated 2 months ago
Alternatives and similar repositories for HydraProt
Users that are interested in HydraProt are comparing it to the libraries listed below
Sorting:
- ☆15Updated 5 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 2 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- Deep Binding Structure RMSD Prediction☆22Updated 4 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 10 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- Code for ApoDock☆20Updated 4 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 5 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last week
- ☆17Updated 2 weeks ago
- Deep generative modeling of protein structural ensembles☆21Updated 4 months ago
- ☆22Updated 5 months ago
- AI/ML Based QSAR Modeling and Translation to Deployable QSAR WebApps☆13Updated 2 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆30Updated 2 months ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated 11 months ago
- Cloud-based Drug Binding Structure Prediction☆37Updated 4 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 5 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 6 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆34Updated last month
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆29Updated 8 months ago
- Fully automated high-throughput MD pipeline☆63Updated last month
- ☆25Updated 3 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 4 months ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- WaterDock-2.0 implementation with Akshay Sridhar☆16Updated last year
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- ☆13Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year