reymond-group / tmapLinks
A very fast visualization library for large, high-dimensional data sets.
☆246Updated last year
Alternatives and similar repositories for tmap
Users that are interested in tmap are comparing it to the libraries listed below
Sorting:
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆189Updated 3 years ago
- Interactive molecule viewer for 2D structures☆242Updated 2 weeks ago
- The MinHashed Atom Pair fingerprint of radius 2☆119Updated 2 years ago
- Explainer for black box models that predict molecule properties☆343Updated 8 months ago
- add-on to plotly which show molecule images on mouseover!☆258Updated last year
- MoleculeKit: Your favorite molecule manipulation kit☆231Updated last month
- Simple package for fast molecular similarity searches☆160Updated 4 months ago
- A lightweight python-only library for reading and writing SMILES strings☆162Updated 4 months ago
- Molecular Processing Made Easy.☆522Updated last year
- molfeat - the hub for all your molecular featurizers☆220Updated 7 months ago
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆136Updated last week
- Facilitates searching, screening, and organizing large chemical databases☆169Updated last year
- A Cuda/Thrust implementation of fingerprint similarity searching☆110Updated last year
- Molecule Validation and Standardization☆179Updated 5 years ago
- A Highly Opinionated List of Open Source Cheminformatics Resources☆194Updated 5 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆462Updated 3 weeks ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆243Updated 2 years ago
- ☆146Updated 4 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Updated 2 years ago
- Molecular bloom filter tool☆128Updated 4 months ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆63Updated 5 years ago
- ChEMBL database structure pipelines☆229Updated last month
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆197Updated 4 years ago
- DeepSMILES - A variant of SMILES for use in machine-learning☆143Updated 4 years ago
- A Python library for structural cheminformatics☆103Updated last month
- The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in …☆143Updated 3 weeks ago
- A curated list of resources for machine learning for small-molecule drug discovery☆230Updated 2 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆347Updated 5 months ago
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆166Updated 3 months ago
- Graph neural networks for molecular design.☆378Updated 2 years ago