mcs07 / PubChemPyLinks
Python wrapper for the PubChem PUG REST API.
☆458Updated this week
Alternatives and similar repositories for PubChemPy
Users that are interested in PubChemPy are comparing it to the libraries listed below
Sorting:
- Official Python client for accessing ChEMBL API☆415Updated 7 months ago
- Tutorials to learn how to work with the RDKit☆294Updated 2 years ago
- a molecular descriptor calculator☆427Updated last year
- Molecular Processing Made Easy.☆510Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆580Updated 2 months ago
- Open Drug Discovery Toolkit☆448Updated 2 years ago
- Interactive molecule viewer for 2D structures☆223Updated 3 weeks ago
- add-on to plotly which show molecule images on mouseover!☆256Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆441Updated 2 weeks ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆316Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆906Updated last week
- A Python wrapper for PaDEL-Descriptor software☆213Updated 4 months ago
- Python interface of cpptraj☆182Updated 7 months ago
- Molecule Validation and Standardization☆174Updated 5 years ago
- Automatically extract chemical information from scientific documents☆332Updated 2 years ago
- PDBFixer fixes problems in PDB files☆572Updated 6 months ago
- HTMD: Programming Environment for Molecular Discovery☆268Updated 2 months ago
- Cloud-based molecular simulations for everyone☆443Updated last week
- A Python Package for Protein Dynamics Analysis☆497Updated 3 weeks ago
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆267Updated last month
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆318Updated this week
- An open library for the analysis of molecular dynamics trajectories☆664Updated this week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆358Updated last week
- ChEMBL database structure pipelines☆219Updated last week
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆277Updated 2 years ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆383Updated last year
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆434Updated last week
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆560Updated this week
- Official data repository for the Open Reaction Database☆292Updated last month
- Python wrapper for the IBM RXN for Chemistry API☆213Updated last year