polaris-hub / aurorisLinks
Curate datasets with ease.
☆30Updated 11 months ago
Alternatives and similar repositories for auroris
Users that are interested in auroris are comparing it to the libraries listed below
Sorting:
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated 11 months ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- Molecular filtering for drug discovery.☆64Updated 3 months ago
- A fragment-based molecular assembly toolkit☆38Updated last month
- Mordred port in cpp☆50Updated 6 months ago
- ☆63Updated 4 months ago
- An open library to work with pharmacophores.☆45Updated 2 years ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 6 months ago
- ☆28Updated 2 years ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated last month
- ☆85Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆47Updated 7 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆42Updated this week
- ☆35Updated last year
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆46Updated 3 months ago
- Machine Learning dataset splitting for life sciences.☆32Updated last year
- ☆51Updated 4 months ago
- Machine learning accelerated docking screens☆58Updated 7 months ago
- toolkit for prediction pKa values of small molecules via graph convolutional networks☆64Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆48Updated this week
- ☆71Updated last month
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last year
- Molecular Library Toolbox☆59Updated 3 weeks ago
- ☆55Updated 2 months ago
- Open-source tool for synthons-based library design.☆82Updated 8 months ago
- ☆11Updated 5 months ago
- ☆37Updated last year
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆40Updated last year
- Cloud-based Drug Binding Structure Prediction☆38Updated 6 months ago
- Simple, lightweight package for genetic algorithms on molecules☆56Updated 10 months ago