☆144Aug 9, 2016Updated 10 years ago
Alternatives and similar repositories for py3dmol
Users that are interested in py3dmol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 2D and 3D molecular visualization in Jupyter notebooks using 3DMol.js and D3.js☆88Mar 30, 2018Updated 8 years ago
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 7 years ago
- Jupyter widget to interactively view molecular structures and trajectories☆927Feb 2, 2026Updated 8 months ago
- Python interface of cpptraj☆191Mar 6, 2026Updated 7 months ago
- JupyterLab extension for py3Dmol☆23Jan 2, 2022Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Notebook-integrated tools for molecular simulation and visualization☆175Apr 2, 2018Updated 8 years ago
- WebGL accelerated JavaScript molecular graphics library☆1,027Sep 12, 2026Updated last month
- Control PyMOL sessions via IPython☆61Nov 3, 2022Updated 3 years ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Aug 16, 2022Updated 4 years ago
- 2D molecule visualization component☆22Nov 2, 2016Updated 9 years ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆13Aug 28, 2023Updated 3 years ago
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆28Aug 20, 2020Updated 6 years ago
- A high performance drop-in replacement for Biotite's PDBFile.☆43Jun 21, 2026Updated 3 months ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ProtT5 (Transformer) embeddings used for residue wise disorder prediction in proteins☆13Mar 11, 2024Updated 2 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated last year
- ☆32Feb 24, 2022Updated 4 years ago
- PDBFixer fixes problems in PDB files☆677Mar 10, 2026Updated 7 months ago
- Calculation of interatomic interactions in molecular structures☆143Sep 3, 2024Updated 2 years ago
- Data visualizations for biomolecular dynamics☆17Oct 30, 2018Updated 7 years ago
- Pseudo Likelihood Maximization for protein in Julia☆52May 15, 2025Updated last year
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆106Jun 9, 2025Updated last year
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Oct 10, 2019Updated 7 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- DeepContact Software☆26Jun 16, 2018Updated 8 years ago
- C-library for calculating Solvent Accessible Surface Areas☆208May 31, 2026Updated 4 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆548Updated this week
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 3 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 13 years ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 2 months ago
- Get access to our MD data files.☆34Nov 22, 2023Updated 2 years ago
- Membrane protein builder and parameterizer☆19Sep 1, 2024Updated 2 years ago
- Advanced tutorials for WESTPA 2.0☆16Feb 27, 2026Updated 7 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,755Updated this week
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 4 years ago
- A validating SMILES parser, with support for incomplete SMILES☆31Jan 14, 2025Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆69Apr 16, 2021Updated 5 years ago
- Calculation of interatomic interactions in molecular structures☆93Mar 5, 2026Updated 7 months ago
- Reduce - tool for adding and correcting hydrogens in PDB files☆187Sep 22, 2026Updated 2 weeks ago
- ☆16Jun 27, 2026Updated 3 months ago