mcs07 / PubChemPyLinks
Python wrapper for the PubChem PUG REST API.
☆441Updated 2 months ago
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☆409Updated 5 months ago
- Tutorials to learn how to work with the RDKit☆291Updated 2 years ago
- a molecular descriptor calculator☆414Updated last year
- Molecular Processing Made Easy.☆505Updated last year
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆266Updated 7 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆307Updated last year
- A Python wrapper for PaDEL-Descriptor software☆207Updated 2 months ago
- Automatically extract chemical information from scientific documents☆330Updated last year
- An open library for the analysis of molecular dynamics trajectories☆654Updated this week
- Open Drug Discovery Toolkit☆439Updated 2 years ago
- Interactive molecule viewer for 2D structures☆221Updated last year
- Molecule Validation and Standardization☆172Updated 5 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆557Updated 3 weeks ago
- HTMD: Programming Environment for Molecular Discovery☆269Updated 3 weeks ago
- Official data repository for the Open Reaction Database☆279Updated last month
- Python interface of cpptraj☆181Updated 5 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆348Updated this week
- Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures☆269Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆425Updated last week
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆183Updated 3 years ago
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆427Updated 2 weeks ago
- add-on to plotly which show molecule images on mouseover!☆253Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆879Updated 2 weeks ago
- Explainer for black box models that predict molecule properties☆333Updated 2 months ago
- ChEMBL database structure pipelines☆209Updated 10 months ago
- Python wrapper for the IBM RXN for Chemistry API☆206Updated last year
- OFFICIAL: AnteChamber PYthon Parser interfacE☆231Updated last month
- Parameter/topology editor and molecular simulator☆428Updated 3 weeks ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆515Updated last month
- ☆357Updated last month