Jupyter widget to interactively view molecular structures and trajectories
☆920Feb 2, 2026Updated 3 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☆715Apr 27, 2026Updated last week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,577Apr 27, 2026Updated last week
- WebGL protein viewer☆724Apr 14, 2025Updated last year
- PDBFixer fixes problems in PDB files☆643Mar 10, 2026Updated last month
- Parameter/topology editor and molecular simulator☆450Apr 9, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- HTMD: Programming Environment for Molecular Discovery☆274Apr 27, 2026Updated last week
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,873Updated this week
- Python interface of cpptraj☆191Mar 6, 2026Updated last month
- A comprehensive macromolecular library☆938Apr 28, 2026Updated last week
- A Python Package for Protein Dynamics Analysis☆544Mar 9, 2026Updated last month
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆83Sep 5, 2024Updated last year
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆85Mar 30, 2018Updated 8 years ago
- Working with molecular structures in pandas DataFrames☆751Aug 1, 2024Updated last year
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆454Dec 15, 2025Updated 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- MoleculeKit: Your favorite molecule manipulation kit☆236Updated this week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆392Updated this week
- The new generation molecular viewer for IPython notebook☆82Apr 29, 2020Updated 6 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆700Apr 21, 2026Updated last week
- ☆139Aug 9, 2016Updated 9 years ago
- WebGL accelerated JavaScript molecular graphics library☆968Mar 29, 2026Updated last month
- Notebook-integrated tools for molecular simulation and visualization☆172Apr 2, 2018Updated 8 years ago
- The official sources for the RDKit library☆3,417Updated this week
- Interaction Fingerprints for protein-ligand complexes and more☆497Apr 27, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆319Jan 7, 2026Updated 3 months ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆189Sep 4, 2025Updated 8 months ago
- A deep learning framework for molecular docking☆905Feb 26, 2026Updated 2 months ago
- A Python API for the RCSB Protein Data Bank (PDB)☆335Updated this week
- TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentia…☆543Mar 4, 2026Updated 2 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆676Oct 30, 2025Updated 6 months ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆361Apr 27, 2026Updated last week
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆997Updated this week
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆270Apr 16, 2026Updated 2 weeks 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.
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆106Dec 7, 2023Updated 2 years ago
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆6,709Mar 2, 2026Updated 2 months ago
- SchNetPack - Deep Neural Networks for Atomistic Systems☆916Apr 19, 2026Updated 2 weeks ago
- Open Babel is a chemical toolbox designed to speak the many languages of chemical data.☆1,313Mar 4, 2025Updated last year
- Development version of plumed 2☆495Updated this week
- MD trajectory server☆37Jul 6, 2023Updated 2 years ago
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,169Apr 17, 2026Updated 2 weeks ago