semacu / protein-degradationView external linksLinks
☆10Dec 4, 2021Updated 4 years ago
Alternatives and similar repositories for protein-degradation
Users that are interested in protein-degradation are comparing it to the libraries listed below
Sorting:
- A pipeline to do virtual screening☆10Oct 4, 2023Updated 2 years ago
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 2 years ago
- ChEMBL Similarity Search☆17Nov 28, 2020Updated 5 years ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- Python optimisation of atomistic ligand charges to maximize receptor binding affinity☆12Aug 3, 2020Updated 5 years ago
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 6 years ago
- Predicting Protein – Ligand Interaction by using Deep Learning Models☆11Nov 13, 2018Updated 7 years ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- ESM-driven Pocket Cross Similarity☆15Aug 11, 2025Updated 6 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- ☆14Jan 11, 2022Updated 4 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 7 years ago
- ☆19Jan 17, 2025Updated last year
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated 4 months ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Apr 12, 2019Updated 6 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 7 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Nov 28, 2023Updated 2 years ago
- Probabilistic Multi-Parameter Optimization (pMPO)☆17Apr 7, 2017Updated 8 years ago
- ☆18Nov 24, 2019Updated 6 years ago
- Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desm…☆23Jan 29, 2026Updated 2 weeks ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- pythonic interface to virtual screening software☆92Sep 4, 2025Updated 5 months ago
- Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS☆20Sep 20, 2025Updated 4 months ago
- Python interface for the RCSB search API.☆20Mar 20, 2024Updated last year
- Protein-ligand binding sites prediction toolkits☆21Jan 2, 2019Updated 7 years ago
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 6 years ago
- Resources for Learning Cheminformatics with the RDKit☆18Apr 7, 2019Updated 6 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆21May 19, 2022Updated 3 years ago
- Molecular Property Prediction using GP with a SOAP kernel☆21Nov 16, 2020Updated 5 years ago
- Deep learning protein-protein binding sites prediction☆22Feb 2, 2023Updated 3 years ago
- This projects utilises vector similarity search from Faiss, in conjunction with chemical fingerprinting to build a scalabale similarity s…☆24Mar 25, 2021Updated 4 years ago
- Deep convolutional neural networks for protein contact map prediction☆23Aug 5, 2019Updated 6 years ago
- PyRod - Tracing water molecules in molecular dynamics simulations☆56Oct 31, 2025Updated 3 months ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Nov 27, 2025Updated 2 months ago
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21May 20, 2019Updated 6 years ago
- Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.☆25May 9, 2024Updated last year
- 2D portraits of 3D protein structures☆27Sep 30, 2025Updated 4 months ago
- A mirror of official bio3d development site at Bitbucket: https://bitbucket.org/Grantlab/bio3d. See also bio3d website: http://thegrantl…☆27Apr 30, 2023Updated 2 years ago