A tutorial for 3D computer graphics for bio-molecules and organic molecules
☆29Jan 26, 2025Updated last year
Alternatives and similar repositories for 3DBiomolecules
Users that are interested in 3DBiomolecules are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Danny Ma's 8 Week SQL Challenge Best Solutions on the Internet☆16Sep 20, 2024Updated 2 years ago
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 10 months ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated 2 years ago
- Pipeline converting PDB files to docking-ready PDBQT format☆22Apr 23, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Fast Molecular Property Prediction with mordredcommunity☆61Dec 12, 2025Updated 9 months ago
- ☆40Feb 20, 2026Updated 7 months ago
- A collections of scripts for working molecular dynamics simulations☆48Jun 1, 2026Updated 3 months ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Nov 12, 2022Updated 3 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 years ago
- Implementations of different GNNs from scratch for chemists☆181Sep 2, 2026Updated 3 weeks ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Updated this week
- This repository contains notebooks for the workshop Python for Cheminformatics-Driven Molecular Docking held on May 1, 2025 in collaborat…☆94Jun 3, 2025Updated last year
- A simple Python package to visualize and explain RDKit SlogP_VSA, SMR_VSA, EState_VSA, VSA_EState descriptor and atomic contributions☆16Jul 12, 2026Updated 2 months 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.
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Jun 3, 2024Updated 2 years ago
- Demo plugin for PyMOL with PyQt☆12Jun 14, 2019Updated 7 years ago
- Code for paper: "Removing Biases from Molecular Representations via Information Maximization"☆21Apr 4, 2024Updated 2 years ago
- ☆19Dec 31, 2024Updated last year
- LillyMol Public Code☆18Sep 3, 2026Updated 3 weeks ago
- ☆23Dec 11, 2024Updated last year
- MBINF Introduction to Python Workshop 2024☆23Sep 6, 2024Updated 2 years ago
- https://arxiv.org/abs/2102.11439☆21Apr 13, 2021Updated 5 years ago
- ☆17Sep 8, 2026Updated 2 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆40Jun 10, 2025Updated last year
- ☆10Jun 15, 2022Updated 4 years ago
- Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU☆19Nov 19, 2024Updated last year
- PandaDock: Physics based Molecular Docking with GNN Scoring☆106Aug 24, 2026Updated last month
- Language models for drug discovery using torchrl☆121Updated this week
- This jupyter notebook let's you convert sdf to pdb or SMILES to pdbqt file formats for a batch of compounds to perform cheminformatics an…☆12Nov 22, 2023Updated 2 years ago
- ☆15Updated this week
- ☆14Jul 24, 2023Updated 3 years ago
- A template for NIH style grants in Latex☆12Jan 16, 2017Updated 9 years 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.
- ☆46Dec 30, 2025Updated 8 months ago
- ☆42Jun 4, 2024Updated 2 years ago
- AqSolDB: A curated aqueous solubility dataset contains 9.982 unique compounds.☆35Apr 18, 2020Updated 6 years ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆82Dec 30, 2024Updated last year
- A Python package for processing molecules with RDKit in scikit-learn☆230Sep 18, 2026Updated last week
- MCP server that connects Claude Code to a live PyMOL session over XML-RPC☆65Sep 2, 2026Updated 3 weeks ago
- ☆10Mar 19, 2020Updated 6 years ago