bayer-science-for-a-better-life / Img2MolLinks
☆121Updated 2 years ago
Alternatives and similar repositories for Img2Mol
Users that are interested in Img2Mol are comparing it to the libraries listed below
Sorting:
- A python package for chemical space visualization.☆149Updated 10 months ago
- Simple package for fast molecular similarity searches☆154Updated last month
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆74Updated last week
- 3D pharmacophore signatures and fingerprints☆108Updated 5 months ago
- RDKit related blog posts, notebooks, and data.☆147Updated 2 weeks ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆90Updated 4 years ago
- Scoring of shape and ESP similarity with RDKit☆227Updated 2 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆199Updated 9 months ago
- QSARtuna: QSAR model building with the optuna framework☆140Updated last year
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆72Updated 4 months ago
- ☆107Updated 4 years ago
- LillyMol Public Code☆117Updated 2 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆130Updated last month
- ☆95Updated last year
- ☆89Updated last year
- ☆76Updated 2 years ago
- Auto3D generates low-energy conformers from SMILES/SDF☆181Updated 5 months ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆94Updated this week
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆125Updated 2 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆80Updated 3 months ago
- The graph-convolutional neural network for pka prediction☆89Updated last year
- The official repository of Uni-pKa☆82Updated 6 months ago
- This repository contains the code for https://decimer.ai☆50Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 7 months ago
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆87Updated 2 weeks ago
- A Python package for processing molecules with RDKit in scikit-learn☆207Updated 2 weeks ago
- Molecule Validation and Standardization☆175Updated 5 years ago
- Community-Maintained Version of mordred☆87Updated last week
- Open-source tool for synthons-based library design.☆82Updated 9 months ago
- A script to run structural alerts using the RDKit and ChEMBL☆150Updated 2 years ago