girke-lab / chemminetoolsLinks
ChemMine Tools: open source web framework for small molecule analysis
☆39Updated 2 years ago
Alternatives and similar repositories for chemminetools
Users that are interested in chemminetools are comparing it to the libraries listed below
Sorting:
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆78Updated 3 years ago
- A Python library for structural cheminformatics☆103Updated 5 months ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Web Interface for ChEMBL @ EMBL-EBI☆52Updated 3 years ago
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆159Updated 7 months ago
- Dynamics PyMOL Plugin☆45Updated last year
- The MinHashed Atom Pair fingerprint of radius 2☆117Updated 2 years ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆67Updated 4 months ago
- Use UCSF Chimera Python API in a standard interpreter☆59Updated 6 years ago
- A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database☆83Updated 5 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated 3 weeks ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- A simple Python library to generate model peptides☆88Updated 4 years ago
- analyse PDB files, run molecular-dynamics & analyse trajectories☆61Updated 7 years ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆109Updated 3 months ago
- Python implementation of the Ramachandran plot☆52Updated 3 months ago
- Visualization tool for changing networks☆20Updated 7 years ago
- Dockerfile for GROMACS☆51Updated 2 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆73Updated 2 years ago
- A collection of useful tutorials for Protein Science☆108Updated 10 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- Pymol ScrIpt COllection (PSICO)☆62Updated 2 months ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- Molecular standardisation tool☆77Updated 5 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Updated 4 months ago
- Interactive data analysis and visualisation with chemical intelligence☆130Updated 2 weeks ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- Conda build recipe for the rdkit☆51Updated 3 years ago
- Catalog of Open Source Molecular Modeling Projects☆106Updated last week