Jupyter widget to interactively view molecular structures and trajectories
☆927Feb 2, 2026Updated 7 months ago
Alternatives and similar repositories for nglview
Users that are interested in nglview are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An open library for the analysis of molecular dynamics trajectories☆735Updated this week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,652Sep 3, 2026Updated 2 weeks ago
- WebGL protein viewer☆733Sep 3, 2026Updated 2 weeks ago
- PDBFixer fixes problems in PDB files☆672Mar 10, 2026Updated 6 months ago
- HTMD: Programming Environment for Molecular Discovery☆276Sep 11, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Parameter/topology editor and molecular simulator☆454Updated this week
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,977Updated this week
- Python interface of cpptraj☆191Mar 6, 2026Updated 6 months ago
- A comprehensive macromolecular library☆1,014Updated this week
- A Python Package for Protein Dynamics Analysis☆557Updated this week
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated 2 years ago
- Working with molecular structures in pandas DataFrames☆756Updated this week
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆88Mar 30, 2018Updated 8 years ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆414Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆464Dec 15, 2025Updated 9 months ago
- MoleculeKit: Your favorite molecule manipulation kit☆246Sep 10, 2026Updated last week
- The new generation molecular viewer for IPython notebook☆82Apr 29, 2020Updated 6 years ago
- ☆144Aug 9, 2016Updated 10 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆719Apr 21, 2026Updated 5 months ago
- WebGL accelerated JavaScript molecular graphics library☆1,019Sep 12, 2026Updated last week
- The official sources for the RDKit library☆3,593Updated this week
- Notebook-integrated tools for molecular simulation and visualization☆175Apr 2, 2018Updated 8 years ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆192May 20, 2026Updated 4 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Interaction Fingerprints for protein-ligand complexes and more☆541Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆340Sep 9, 2026Updated last week
- A deep learning framework for molecular docking☆977Jun 29, 2026Updated 2 months ago
- A Python API for the RCSB Protein Data Bank (PDB)☆338Aug 1, 2026Updated last month
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆717Jul 3, 2026Updated 2 months ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆379Sep 15, 2026Updated last week
- TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentia…☆560Sep 6, 2026Updated 2 weeks ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,071Sep 1, 2026Updated 3 weeks ago
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆7,009Aug 20, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆279Apr 16, 2026Updated 5 months ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆107Dec 7, 2023Updated 2 years ago
- SchNetPack - Deep Neural Networks for Atomistic Systems☆940Updated this week
- Development version of plumed 2☆517Updated this week
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,384Sep 14, 2026Updated last week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆390Jul 31, 2026Updated last month
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆318Feb 12, 2026Updated 7 months ago