LillyMol Public Code
☆18Sep 3, 2026Updated 2 weeks ago
Alternatives and similar repositories for LillyMol
Users that are interested in LillyMol 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 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
- [ICML 2026 GenBio Workshop] Official Implementation for "Harmonic Torsional Diffusion for Protein-Ligand Flexible Docking"☆17Jun 30, 2026Updated 2 months ago
- ☆17Jul 7, 2024Updated 2 years ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Sep 1, 2026Updated 2 weeks 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.
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆42Jun 17, 2026Updated 3 months ago
- ☆14May 15, 2024Updated 2 years ago
- ☆19Dec 31, 2024Updated last year
- ☆83Feb 17, 2026Updated 7 months ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ☆40Feb 20, 2026Updated 7 months ago
- ☆38Mar 8, 2024Updated 2 years ago
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆17Apr 20, 2025Updated last year
- Synthesis generative model☆48Apr 24, 2025Updated last year
- 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.
- ☆22Jun 2, 2026Updated 3 months ago
- ☆46Dec 30, 2025Updated 8 months ago
- A collection of cheminformatics utility functions for use with marimo notebooks☆25Aug 21, 2026Updated last month
- Selection language for RDKit☆17Mar 20, 2026Updated 6 months ago
- A single model for all your molecular design tasks☆188Sep 9, 2026Updated last week
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 10 months ago
- ☆34Feb 27, 2026Updated 6 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆104Jun 24, 2026Updated 2 months ago
- ☆12Jul 5, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆40Aug 14, 2026Updated last month
- Curate datasets with ease.☆32Sep 19, 2024Updated 2 years ago
- Another Molecular String Representation☆11Aug 20, 2026Updated last month
- Re-scoring a set of docked ligands with off-the-shelf algorithms to assess utility in virtual screening☆11Oct 13, 2021Updated 4 years ago
- ☆27May 15, 2019Updated 7 years ago
- Generates and scores synthetically tractable elaborations from fragment screens☆21Aug 3, 2026Updated last month
- A simple app to generate a predictive ML model from any ChEMBL target via UniprotID☆18Apr 24, 2026Updated 4 months ago
- LillyMol Public Code☆142Aug 28, 2025Updated last year
- 3D pharmacophore signatures and fingerprints☆118May 8, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Fast Molecular Property Prediction with mordredcommunity☆61Dec 12, 2025Updated 9 months ago
- Repository for Q and Q-FEP modules☆27Updated this week
- Autoregressive fragment-based diffusion for target-aware ligand design☆37May 23, 2024Updated 2 years ago
- Structure-based fragment identification in latent space☆31Mar 4, 2026Updated 6 months ago
- Open source Java-based chemistry library☆132Updated this week
- ☆102Aug 23, 2024Updated 2 years ago
- ☆17Dec 7, 2024Updated last year