nglviewer / nglviewLinks
Jupyter widget to interactively view molecular structures and trajectories
☆901Updated 2 months ago
Alternatives and similar repositories for nglview
Users that are interested in nglview are comparing it to the libraries listed below
Sorting:
- An open library for the analysis of molecular dynamics trajectories☆677Updated last week
- A Python Package for Protein Dynamics Analysis☆517Updated last week
- PDBFixer fixes problems in PDB files☆608Updated last month
- Parameter/topology editor and molecular simulator☆441Updated 3 months ago
- HTMD: Programming Environment for Molecular Discovery☆268Updated 2 weeks ago
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,253Updated 9 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆326Updated last year
- A deep learning framework for molecular docking☆809Updated last month
- macromolecular crystallography library and utilities☆305Updated this week
- Cloud-based molecular simulations for everyone☆460Updated last month
- A Python API for the RCSB Protein Data Bank (PDB)☆332Updated 6 months ago
- Collected scripts for Pymol☆502Updated 4 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆617Updated last month
- Python interface of cpptraj☆184Updated last week
- Python wrapper for the PubChem PUG REST API.☆475Updated 3 months ago
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆442Updated 3 weeks ago
- A dependency-free cross-platform swiss army knife for PDB files.☆435Updated 2 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆940Updated this week
- AutoDock for GPUs and other accelerators☆543Updated 2 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆372Updated this week
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆673Updated 10 months ago
- Open Drug Discovery Toolkit☆457Updated 3 years ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆335Updated 3 weeks ago
- Official Python client for accessing ChEMBL API☆427Updated 10 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆305Updated 2 months ago
- AutoDock Vina☆868Updated 2 months ago
- a molecular descriptor calculator☆449Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆456Updated last week
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆283Updated last month
- Molecular Processing Made Easy.☆519Updated last year