☆143Aug 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
- Jupyter widget to interactively view molecular structures and trajectories☆930Feb 2, 2026Updated 8 months ago
- WebGL accelerated JavaScript molecular graphics library☆1,034Oct 21, 2026Updated last week
- Python interface of cpptraj☆191Mar 6, 2026Updated 7 months ago
- Reduce - tool for adding and correcting hydrogens in PDB files☆187Oct 12, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- RDKit Tools for the IPython Notebook☆46Oct 16, 2018Updated 8 years ago
- prepare AMBER files for MD simulations from a pdb file☆13Jul 6, 2025Updated last year
- JAX translation of BoltzGen☆12Nov 11, 2025Updated 11 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆554Updated this week
- Control PyMOL sessions via IPython☆61Nov 3, 2022Updated 3 years ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Oct 10, 2019Updated 7 years ago
- ☆19Mar 19, 2026Updated 7 months ago
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- A high performance drop-in replacement for Biotite's PDBFile.☆43Jun 21, 2026Updated 4 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- HTMD: Programming Environment for Molecular Discovery☆278Oct 23, 2026Updated last week
- JupyterLab extension for py3Dmol☆23Jan 2, 2022Updated 4 years ago
- An implementation of the CSMILES conformer line input system.☆14Jul 11, 2025Updated last year
- A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, an…☆281Updated this week
- PDBFixer fixes problems in PDB files☆681Mar 10, 2026Updated 7 months ago
- Plausibility checks for generated molecule poses.☆418Oct 3, 2026Updated 3 weeks ago
- Public releases of the msmJAX fast electrostatics code☆13Mar 26, 2026Updated 7 months ago
- SOURSOP is an analysis suite for molecular simulations of intrinsically disordered proteins☆12Oct 1, 2026Updated 3 weeks ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Aug 16, 2022Updated 4 years 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.
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 5 months ago
- Calculation of interatomic interactions in molecular structures☆93Mar 5, 2026Updated 7 months ago
- A validating SMILES parser, with support for incomplete SMILES☆31Jan 14, 2025Updated last year
- Demos of many Rosetta applications☆26Jun 10, 2025Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆337Oct 6, 2025Updated last year
- Protein-ligand structure prediction☆242Jul 31, 2025Updated last year
- Calculation of interatomic interactions in molecular structures☆145Sep 3, 2024Updated 2 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆250Updated this week
- Open-source foundation of the user-sponsored PyMOL molecular visualization system.☆1,772Oct 7, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- An application for configuring and running simulations with OpenMM☆84Oct 30, 2025Updated last year
- C-library for calculating Solvent Accessible Surface Areas☆210May 31, 2026Updated 5 months ago
- Notebook-integrated tools for molecular simulation and visualization☆175Apr 2, 2018Updated 8 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆728Jul 3, 2026Updated 3 months ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- A comprehensive library for computational molecular biology☆980Oct 24, 2026Updated last week
- Best practice document for alchemical free energy calculations going to livecoms journal☆94May 28, 2026Updated 5 months ago