Interactive molecule viewer for 2D structures
☆251Dec 27, 2025Updated 2 months ago
Alternatives and similar repositories for mols2grid
Users that are interested in mols2grid are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- add-on to plotly which show molecule images on mouseover!☆262Mar 17, 2026Updated last week
- Some useful RDKit functions☆222Updated this week
- ChEMBL database structure pipelines☆236Nov 24, 2025Updated 4 months ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆481Mar 12, 2026Updated last week
- Explainer for black box models that predict molecule properties☆348May 8, 2025Updated 10 months ago
- Molecular Processing Made Easy.☆532Jun 10, 2024Updated last year
- Scoring of shape and ESP similarity with RDKit☆233Aug 19, 2025Updated 7 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆277Jan 25, 2026Updated 2 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆205Mar 13, 2026Updated last week
- Python-based GUI to collect Feedback of Chemist in Molecules☆53Oct 15, 2024Updated last year
- Extracting medicinal chemistry intuition via preference machine learning☆117Oct 31, 2023Updated 2 years ago
- Molecule Validation and Standardization☆183Apr 16, 2020Updated 5 years ago
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 4 months ago
- CReM: chemically reasonable mutations framework☆264Mar 17, 2026Updated last week
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Descriptor computation(chemistry) and (optional) storage for machine learning☆277Oct 26, 2024Updated last year
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Nov 9, 2022Updated 3 years ago
- Updated version of Silicos-it's shape-based alignment tool☆47Sep 27, 2025Updated 5 months ago
- ☆93Aug 23, 2024Updated last year
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆836May 17, 2025Updated 10 months ago
- The MinHashed Atom Pair fingerprint of radius 2☆121May 1, 2023Updated 2 years ago
- Simple package for fast molecular similarity searches☆165Mar 11, 2026Updated 2 weeks ago
- A Python package for calculating molecular features☆222Mar 6, 2026Updated 2 weeks ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆975Updated this week
- psi4+RDKit☆106May 13, 2025Updated 10 months ago
- A curated list of Cheminformatics libraries and software.☆843Mar 15, 2024Updated 2 years ago
- Open Drug Discovery Toolkit☆462Dec 13, 2022Updated 3 years ago
- ☆103Feb 15, 2024Updated 2 years ago
- Python wrapper for the PubChem PUG REST API.☆496Sep 8, 2025Updated 6 months ago
- Synthesis generative model☆48Apr 24, 2025Updated 11 months ago
- ☆26Sep 28, 2021Updated 4 years ago
- A script to run structural alerts using the RDKit and ChEMBL☆162Feb 17, 2026Updated last month
- ☆371May 24, 2025Updated 10 months ago
- A tool for retrosynthetic planning☆803Mar 11, 2026Updated 2 weeks ago
- Generate images of molecules and their properties for use in presentations and reports☆44Jul 21, 2022Updated 3 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆61Sep 5, 2022Updated 3 years ago
- ☆35Mar 8, 2024Updated 2 years ago