Global-Chem / global-chemLinks
A Knowledge Graph of Common Chemical Names to their Molecular Definition
☆173Updated 11 months ago
Alternatives and similar repositories for global-chem
Users that are interested in global-chem are comparing it to the libraries listed below
Sorting:
- Molecular bloom filter tool☆128Updated 4 months ago
- Interactive molecule viewer for 2D structures☆241Updated this week
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆83Updated 3 weeks ago
- RDKit related blog posts, notebooks, and data.☆152Updated last week
- A Fast Chemical Graph Generator☆91Updated 2 years ago
- Enable cheminformatics and quantum chemistry☆77Updated last year
- add-on to plotly which show molecule images on mouseover!☆258Updated last year
- psi4+RDKit☆104Updated 7 months ago
- Simple package for fast molecular similarity searches☆159Updated 3 months ago
- A python package for chemical space visualization.☆150Updated last year
- Interactive data analysis and visualisation with chemical intelligence☆139Updated this week
- Make a bunch of molecules☆97Updated last year
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆65Updated 6 years ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆189Updated 3 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆76Updated 7 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆133Updated last month
- Simple RDKit molecule editor GUI using PySide☆166Updated 11 months ago
- ☆124Updated 2 years ago
- Python wrapper for the NCI Chemical Identifier Resolver (CIR)☆129Updated last year
- RDKit Tools for the IPython Notebook☆46Updated 7 years ago
- Molecule Validation and Standardization☆177Updated 5 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆202Updated 11 months ago
- The MinHashed Atom Pair fingerprint of radius 2☆118Updated 2 years ago
- Community-Maintained Version of mordred☆92Updated this week
- Experiments with expanded ensembles to explore chemical space☆197Updated 2 months ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆197Updated 4 years ago
- Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…☆132Updated 3 years ago
- A collection of cheminformatics scripts that use rdkit☆70Updated 3 years ago
- Python-based Informatics Kit for Analysing Chemical Units☆74Updated 3 weeks ago
- ☆59Updated last year