☆30Dec 19, 2022Updated 3 years ago
Alternatives and similar repositories for benchmarking_platform
Users that are interested in benchmarking_platform are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Structural similarity benchmark☆11Dec 6, 2017Updated 8 years ago
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 7 years ago
- 3D molecular fingerprints (E3FP) paper repo☆15Mar 14, 2021Updated 5 years ago
- An integrated web-based platform for molecular descriptor and fingerprint computation☆13Nov 9, 2016Updated 9 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Real time monitoring and visualization of Amber MD simulations☆16Feb 6, 2020Updated 6 years ago
- ☆13Jul 13, 2019Updated 7 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆125May 1, 2023Updated 3 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- 3D molecular fingerprints☆145Feb 4, 2025Updated last year
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 4 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- The OpenSMILES specification☆14May 13, 2020Updated 6 years ago
- ☆37Mar 31, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- Machine learning workflows for the OpenADMET project☆62Updated this week
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- ☆10Jan 25, 2023Updated 3 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Jul 22, 2021Updated 5 years ago
- This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands tha…☆10Dec 23, 2020Updated 5 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- LillyMol Public Code☆18Updated this week
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Python tutorial for estimating and clustering free energy landscapes with InfleCS.☆31May 6, 2022Updated 4 years ago
- Python library for adaptive QM/MM methods☆29Feb 10, 2020Updated 6 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆72Mar 29, 2022Updated 4 years ago
- Modeling Tanimoto distributions for RDKit☆20Feb 28, 2020Updated 6 years ago
- Python script that creates 2D protein-ligand interaction images☆13Apr 23, 2018Updated 8 years ago
- QSAR☆16Sep 27, 2025Updated last year
- SAnDReS: Statistical Analysis of Docking Results and Scoring functions (Version 2.0)☆21Oct 24, 2026Updated last week
- MolTaut, a tool for the rapid generation of favorable states of drug-like molecules in water☆20Feb 1, 2023Updated 3 years ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 7 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Enhancing Early Detection of Drug-Induced Liver Injury Through Predicted in vivo and in vitro Data Integration☆23Aug 15, 2025Updated last year
- Application for detecting functional groups of a molecules.☆17Jul 17, 2023Updated 3 years ago
- MMTSB Tool Set☆33Jan 26, 2026Updated 9 months ago
- Evolutionary algorithm for the optimization of molecular properties.☆62Feb 24, 2026Updated 8 months ago
- ☆45Mar 18, 2022Updated 4 years ago
- Clone of ChemoPy package with depracation errors fixed.☆10Aug 18, 2018Updated 8 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Sep 30, 2026Updated last month