TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
☆1,082Sep 1, 2026Updated last month
Alternatives and similar repositories for teachopencadd
Users that are interested in teachopencadd 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 Python library for structural cheminformatics☆111Nov 18, 2025Updated 10 months ago
- Practical Cheminformatics Tutorials☆1,330Aug 22, 2026Updated last month
- Interaction Fingerprints for protein-ligand complexes and more☆548Updated this week
- A curated list of Cheminformatics libraries and software.☆889Mar 15, 2024Updated 2 years ago
- Some useful RDKit functions☆241Aug 27, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- A package to identify matched molecular pairs and use them to predict property changes.☆302Jun 3, 2026Updated 4 months ago
- Molecular Processing Made Easy.☆553Sep 9, 2026Updated last month
- A deep learning framework for molecular docking☆990Jun 29, 2026Updated 3 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆209Jun 28, 2026Updated 3 months ago
- RDKit related blog posts, notebooks, and data.☆159Aug 25, 2026Updated last month
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆288Oct 30, 2023Updated 2 years ago
- CReM: chemically reasonable mutations framework☆287Sep 23, 2026Updated 3 weeks ago
- Open Drug Discovery Toolkit☆472Oct 4, 2026Updated last week
- Cloud-based molecular simulations for everyone☆506Aug 26, 2026Updated last month
- 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.
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆722Jul 3, 2026Updated 3 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆144Nov 10, 2025Updated 11 months ago
- ChEMBL database structure pipelines☆249Nov 24, 2025Updated 10 months ago
- ☆38Feb 14, 2022Updated 4 years ago
- A Highly Opinionated List of Open Source Cheminformatics Resources☆199Nov 19, 2020Updated 5 years ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated 4 months ago
- A tool for retrosynthetic planning☆904Apr 13, 2026Updated 6 months ago
- Interactive molecule viewer for 2D structures☆258Dec 27, 2025Updated 9 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.
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆226Mar 4, 2026Updated 7 months ago
- Interface for AutoDock, molecule parameterization☆390Sep 18, 2026Updated 3 weeks ago
- The official sources for the RDKit library☆3,618Updated this week
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆245Apr 21, 2026Updated 5 months ago
- Resources, Code, and Other things I use to teach Cheminformatics.☆181Dec 7, 2024Updated last year
- ☆377May 24, 2025Updated last year
- Simple package for fast molecular similarity searches☆185Jul 16, 2026Updated 2 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,500Sep 1, 2026Updated last month
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆181Mar 26, 2026Updated 6 months 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.
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆876Updated this week
- A Python package for processing molecules with RDKit in scikit-learn☆230Sep 18, 2026Updated 3 weeks ago
- The Open Free Energy toolkit☆341Updated this week
- Simple RDKit molecule editor GUI using PySide☆180May 3, 2026Updated 5 months ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆202Jan 27, 2022Updated 4 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆248Updated this week
- Python for chemoinformatics☆112Feb 10, 2021Updated 5 years ago