jku-vds-lab / projection-space-explorerLinks
☆42Updated 10 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
Sorting:
- A python module for generating interactive views of chemical spaces.☆74Updated 2 years ago
- ☆11Updated 3 weeks ago
- Computational Analysis of Novel Drug Opportunities☆36Updated last month
- cime public repository☆33Updated 2 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year
- ☆16Updated 5 years ago
- ☆30Updated last month
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20Updated 6 years ago
- Materials from the (virtual) 2021 RDKit UGM☆38Updated 3 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆38Updated last year
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated 11 months ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆41Updated last month
- Write reproducible code for getting and processing ChEMBL☆76Updated this week
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 4 months ago
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆24Updated 4 months ago
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 years ago
- ☆37Updated last year
- A generic mechanism for describing views used in molecular visualizations☆40Updated last week
- faster docking☆19Updated 4 years ago
- molecular plots in Jupyter, powererd by Blender Geometry Nodes☆55Updated last year
- A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.☆37Updated 2 years ago
- Molecular filtering for drug discovery.☆60Updated last month
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Protein Structure Analysis☆55Updated 3 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆24Updated 2 weeks ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year