nglviewer / nglviewLinks
Jupyter widget to interactively view molecular structures and trajectories
☆893Updated last week
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☆668Updated this week
- A Python Package for Protein Dynamics Analysis☆506Updated last month
- PDBFixer fixes problems in PDB files☆586Updated 2 weeks ago
- Parameter/topology editor and molecular simulator☆438Updated last month
- Cloud-based molecular simulations for everyone☆448Updated last week
- macromolecular crystallography library and utilities☆292Updated last week
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆437Updated last month
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆661Updated 8 months ago
- Python wrapper for the PubChem PUG REST API.☆462Updated last month
- A deep learning framework for molecular docking☆781Updated 2 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆919Updated last week
- HTMD: Programming Environment for Molecular Discovery☆268Updated 3 months ago
- Collected scripts for Pymol☆492Updated 2 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆591Updated 3 months ago
- A Python API for the RCSB Protein Data Bank (PDB)☆330Updated 4 months ago
- Python interface of cpptraj☆183Updated 8 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆362Updated this week
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,231Updated 7 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆318Updated last year
- WebGL protein viewer☆706Updated 5 months ago
- Working with molecular structures in pandas DataFrames☆739Updated last year
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,473Updated this week
- Open Drug Discovery Toolkit☆449Updated 2 years ago
- Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format☆543Updated 2 months ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆295Updated last week
- AutoDock Vina☆819Updated this week
- A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.☆327Updated 4 years ago
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,471Updated 2 weeks ago
- A dependency-free cross-platform swiss army knife for PDB files.☆431Updated last week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆325Updated this week