TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
☆1,060Sep 1, 2026Updated this week
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 9 months ago
- Practical Cheminformatics Tutorials☆1,304Aug 22, 2026Updated last week
- Interaction Fingerprints for protein-ligand complexes and more☆537Aug 1, 2026Updated last month
- A curated list of Cheminformatics libraries and software.☆881Mar 15, 2024Updated 2 years ago
- Some useful RDKit functions☆237Aug 27, 2026Updated last week
- 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.
- A package to identify matched molecular pairs and use them to predict property changes.☆300Jun 3, 2026Updated 3 months ago
- Molecular Processing Made Easy.☆546Updated this week
- A deep learning framework for molecular docking☆967Jun 29, 2026Updated 2 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆207Jun 28, 2026Updated 2 months ago
- RDKit related blog posts, notebooks, and data.☆157Aug 25, 2026Updated last week
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆286Oct 30, 2023Updated 2 years ago
- CReM: chemically reasonable mutations framework☆284Aug 28, 2026Updated last week
- Open Drug Discovery Toolkit☆470Dec 13, 2022Updated 3 years ago
- Cloud-based molecular simulations for everyone☆503Aug 26, 2026Updated last week
- 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.
- 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,…☆712Jul 3, 2026Updated 2 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆144Nov 10, 2025Updated 9 months ago
- ChEMBL database structure pipelines☆248Nov 24, 2025Updated 9 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 3 months ago
- Interactive molecule viewer for 2D structures☆257Dec 27, 2025Updated 8 months ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆225Mar 4, 2026Updated 6 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Interface for AutoDock, molecule parameterization☆386Aug 27, 2026Updated last week
- A tool for retrosynthetic planning☆886Apr 13, 2026Updated 4 months ago
- The official sources for the RDKit library☆3,574Updated this week
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆242Apr 21, 2026Updated 4 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☆176Jul 16, 2026Updated last month
- Message Passing Neural Networks for Molecule Property Prediction☆2,450Updated this week
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆180Mar 26, 2026Updated 5 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.
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆852Updated this week
- A Python package for processing molecules with RDKit in scikit-learn☆228Jul 14, 2026Updated last month
- The Open Free Energy toolkit☆326Updated this week
- MoleculeKit: Your favorite molecule manipulation kit☆241Updated this week
- Simple RDKit molecule editor GUI using PySide☆179May 3, 2026Updated 4 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
- Python for chemoinformatics☆112Feb 10, 2021Updated 5 years ago