jku-vds-lab / projection-space-explorer
☆42Updated 6 months ago
Alternatives and similar repositories for projection-space-explorer:
Users that are interested in projection-space-explorer are comparing it to the libraries listed below
- A python module for generating interactive views of chemical spaces.☆75Updated 2 years ago
- Computational Analysis of Novel Drug Opportunities☆35Updated last week
- docking visualization with py3dmol and streamlit☆23Updated 3 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆35Updated 10 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 2 weeks ago
- cime public repository☆33Updated 2 years ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆19Updated 5 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆30Updated 7 months ago
- Functions to scrape GPCR data from the web.☆16Updated 3 years ago
- ☆15Updated 5 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- ☆28Updated 9 months ago
- Write reproducible code for getting and processing ChEMBL☆72Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 9 months ago
- ☆28Updated 2 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- 👁️🗨️ Scientists often do the same bad stuff. Automate giving feedback during peer review.☆27Updated 4 months ago
- ☆10Updated last year
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆35Updated last month
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆28Updated last week
- Learning with uncertainty for biological discovery and design☆33Updated last year
- Automated QSAR based on multiple small molecule descriptors☆34Updated 3 months ago
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆33Updated last year
- ☆16Updated 5 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆39Updated last year
- ☆13Updated last year
- ☆32Updated 4 years ago
- Deep learning for protein science☆33Updated 8 months ago