2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js
☆85Mar 30, 2018Updated 8 years ago
Alternatives and similar repositories for notebook-molecular-visualization
Users that are interested in notebook-molecular-visualization are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Notebook-integrated tools for molecular simulation and visualization☆172Apr 2, 2018Updated 8 years ago
- ☆139Aug 9, 2016Updated 9 years ago
- Python package for working with nucleic acid structural designs.☆16Apr 24, 2018Updated 7 years ago
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- 3D molecular visualization React component using 3Dmol.js☆70Sep 20, 2021Updated 4 years ago
- Jupyter widget to interactively view molecular structures and trajectories☆918Feb 2, 2026Updated 2 months ago
- Methods for mapping proteomics data on 3D protein structure.☆15Jan 18, 2020Updated 6 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 8 years ago
- AutoGraph: autonomous graph based clustering of metabolite conformations☆12Mar 25, 2022Updated 4 years ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆19Apr 27, 2024Updated last year
- A Python API for the RCSB Protein Data Bank (PDB)☆334Mar 30, 2026Updated last week
- WebGL accelerated JavaScript molecular graphics library☆963Mar 29, 2026Updated last week
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Control PyMOL sessions via IPython☆61Nov 3, 2022Updated 3 years ago
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 2 years ago
- Data repository for pkasolver☆12Mar 28, 2022Updated 4 years ago
- JupyterLab extension for py3Dmol☆22Jan 2, 2022Updated 4 years ago
- Chemical Structure Handling for Pandas DataFrames☆34Feb 6, 2023Updated 3 years ago
- A validating SMILES parser, with support for incomplete SMILES☆29Jan 14, 2025Updated last year
- The Biomolecular Design Database Project is a web application that allows users to share, search and use nucleic acid nanotechnology desi…☆18May 12, 2019Updated 6 years ago
- This repo is deprecated. I move the work to support molstar in nglview: https://github.com/nglviewer/nglview☆12Dec 3, 2024Updated last year
- Open Source Implementation of the Unique Ring Families Algorithm (Cheminformatics)☆18Aug 5, 2024Updated last year
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- A Fast Chemical Graph Generator☆94Mar 5, 2026Updated last month
- Open source library to work with molecular systems☆13Updated this week
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆23Feb 1, 2022Updated 4 years ago
- ☆16Jan 2, 2024Updated 2 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- A Cuda/Thrust implementation of fingerprint similarity searching☆111Jan 24, 2024Updated 2 years ago
- An implementation of Delaney's ESOL method using the RDKit☆62Sep 6, 2018Updated 7 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Adaptive string method implementation in AmberTools23 and Amber22☆14Jan 7, 2025Updated last year
- ☆22Jul 25, 2024Updated last year
- PSIPRED Protein Secondary Structure Predictor☆58Jul 3, 2025Updated 9 months ago
- 3D molecular fingerprints☆142Feb 4, 2025Updated last year
- 2D/3D generation for small compounds☆33Feb 2, 2020Updated 6 years ago
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- 📐 Symmetry-corrected RMSD in Python☆115Mar 30, 2026Updated last week