Fork of open-source PyMOL molecular visualization system refactored to run in MacOS/iOS using Metal.
☆41Nov 3, 2026Updated this week
Alternatives and similar repositories for RayMol
Users that are interested in RayMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆12Apr 29, 2026Updated 6 months ago
- AI-powered MD trajectory analysis IDE with cpptraj, RAG, and 3D viewer☆13Mar 15, 2026Updated 7 months ago
- Times Square Sampling☆14Feb 24, 2023Updated 3 years ago
- Toolkit for open antiviral drug discovery by the Choderalab (formerly ASAP)☆16Oct 5, 2026Updated last month
- Claude AI plugin for PyMOL to control PyMOL with plain English☆17May 21, 2026Updated 5 months 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.
- Fast, memory-efficient Butina clustering and dataset splitting for chemical fingerprints☆12Jun 4, 2026Updated 5 months ago
- Selection language for RDKit☆17Mar 20, 2026Updated 7 months ago
- Open-source SBDD toolkit for standardized import of binding poses, restrained OpenMM minimization, pose QC, protein-ligand interaction an…☆22Sep 11, 2026Updated last month
- a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home☆36Updated this week
- macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids.☆72Updated this week
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆15Updated this week
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆23Apr 15, 2026Updated 6 months ago
- The Polaris datasets and benchmarks recipes☆16May 26, 2025Updated last year
- ☆71Updated this week
- 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.
- ☆14Oct 27, 2026Updated last week
- ☆38Mar 8, 2024Updated 2 years ago
- ☆15Jun 24, 2025Updated last year
- ☆34Jul 27, 2026Updated 3 months ago
- Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...☆39May 19, 2026Updated 5 months ago
- A lightweight, fast pocket finder in Python.☆93Jul 22, 2026Updated 3 months ago
- A Rust library for parsing PDB (Protein Data Bank) files☆21Updated this week
- ☆19May 1, 2026Updated 6 months ago
- equivariant NMR prediction☆20Sep 16, 2026Updated last month
- 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.
- ☆19Aug 18, 2026Updated 2 months ago
- companion artifacts for RosettaCon 2026 tutorial - using AI agents for scientific software engineering☆10Aug 5, 2026Updated 3 months ago
- This repository provides the scripts to generate and analyze the LOBSTER dataset of small molecule superpositions. The dataset is availab…☆12Nov 18, 2024Updated last year
- [NeurIPS'26 Spotlight] MUX: Continuous Reasoning via Multiplexed Tokens☆10Oct 30, 2026Updated last week
- A common units module for the OpenFF software stack☆10Updated this week
- converting 3d molecular representations to 2d☆14Sep 10, 2026Updated last month
- Algorithms for various Network Layouts and Tooling for planning FE Calculations☆25Oct 5, 2026Updated last month
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆27Sep 25, 2026Updated last month
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 8 months 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.
- Implementation for SuperWater☆55Jun 2, 2026Updated 5 months ago
- ☆98Oct 10, 2026Updated 3 weeks ago
- A drop-in replacement for Rosetta Relax☆30Oct 22, 2026Updated 2 weeks ago
- Repository for molar crate and its dependencies☆67Updated this week
- ☆72Apr 24, 2026Updated 6 months ago
- Tutorial for the OpenADMET-PXR blind challenge☆12Jul 23, 2026Updated 3 months ago
- ☆20Feb 27, 2026Updated 8 months ago
Are these results useful?