EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
☆14Dec 7, 2021Updated 4 years ago
Alternatives and similar repositories for EViS
Users that are interested in EViS are comparing it to the libraries listed below
Sorting:
- ☆29Mar 11, 2023Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- A Motif-Based PPI Searching Pipeline for PPI Mining and Protein Design☆21Feb 11, 2025Updated last year
- App for serotonergic targets☆12Jan 8, 2026Updated last month
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆22Sep 4, 2023Updated 2 years ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 2026Updated 2 weeks ago
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- ☆10Nov 10, 2023Updated 2 years ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆16Sep 13, 2025Updated 5 months ago
- ☆14Jan 5, 2024Updated 2 years ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 years ago
- ☆31Jan 26, 2026Updated last month
- ☆22Sep 24, 2022Updated 3 years ago
- Package that facilitates pulling database entries from KEGG via its REST API☆11Feb 21, 2026Updated last week
- Protein interaction calculator☆13Feb 11, 2025Updated last year
- Polyreactivity Website☆21Jun 26, 2023Updated 2 years ago
- GNN enabled surrogate modeling for chemical docking☆15Nov 3, 2022Updated 3 years ago
- ☆13Jul 7, 2024Updated last year
- A python tool for numerically encoding protein sequences based on PSSM profile☆13Jun 25, 2021Updated 4 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated 9 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆30Dec 16, 2025Updated 2 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆32May 22, 2025Updated 9 months ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆31Jul 29, 2025Updated 7 months ago
- ☆27Sep 1, 2021Updated 4 years ago
- neuropeptide prediction☆13Sep 2, 2022Updated 3 years ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆19Feb 23, 2026Updated last week
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago
- Generative Tensorial Reinforcement Learning (GENTRL) model☆12Oct 25, 2019Updated 6 years ago
- AI-powered Virtual Screening☆85Jun 23, 2023Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Sep 24, 2023Updated 2 years ago
- Different run and analysis scripts as described in the research guides.☆14Jul 5, 2022Updated 3 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 10 months ago
- ☆15Sep 5, 2025Updated 5 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated 11 months ago
- Peptide Virtual Screening Pipeline☆12Jul 3, 2019Updated 6 years ago
- ☆21Oct 2, 2024Updated last year
- ☆57Mar 14, 2024Updated last year
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆33Aug 10, 2023Updated 2 years ago