OlivierBeq / Papyrus-scriptsLinks
☆25Updated 7 months ago
Alternatives and similar repositories for Papyrus-scripts
Users that are interested in Papyrus-scripts are comparing it to the libraries listed below
Sorting:
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- ☆29Updated 2 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆41Updated last year
- ☆98Updated 9 months ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- ☆30Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- Extended Connectivity Interaction Features☆31Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- ☆33Updated last year
- Open-source tool for synthons-based library design.☆83Updated 10 months ago
- ☆47Updated 5 years ago
- pythonic interface to virtual screening software☆91Updated 2 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- Python for chemoinformatics☆52Updated 6 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆60Updated 3 years ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 8 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆43Updated last year
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆55Updated last month
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- Kinase-focused fragment library☆67Updated last week
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- This repository contains the implementation of a novel machine learning classifier trained on the Dataset of Congruent Inhibitors and Dec…☆23Updated 5 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- Structure-informed machine learning for kinase modeling☆58Updated this week
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated 2 months ago
- Materials from the 2022 UGM☆46Updated 3 years ago
- ☆28Updated 2 years ago