reymond-group / tmapLinks
A very fast visualization library for large, high-dimensional data sets.
☆235Updated 9 months ago
Alternatives and similar repositories for tmap
Users that are interested in tmap are comparing it to the libraries listed below
Sorting:
- Interactive molecule viewer for 2D structures☆223Updated last week
- Explainer for black box models that predict molecule properties☆336Updated 3 months ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆186Updated 3 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- A lightweight python-only library for reading and writing SMILES strings☆156Updated this week
- add-on to plotly which show molecule images on mouseover!☆256Updated last year
- MoleculeKit: Your favorite molecule manipulation kit☆226Updated last month
- Molecular Processing Made Easy.☆510Updated last year
- ⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit☆132Updated this week
- molfeat - the hub for all your molecular featurizers☆218Updated 3 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆166Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆437Updated last month
- Graph neural networks for molecular design.☆373Updated 2 years ago
- Simple package for fast molecular similarity searches☆147Updated this week
- DeepSMILES - A variant of SMILES for use in machine-learning☆140Updated 4 years ago
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆240Updated 2 years ago
- machine learning, molecular descriptor☆117Updated 2 years ago
- A curated list of resources for machine learning for small-molecule drug discovery☆228Updated last year
- Molecule Validation and Standardization☆174Updated 5 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆324Updated last month
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆186Updated 2 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- A Python library for structural cheminformatics☆102Updated 4 months ago
- Molecular bloom filter tool☆121Updated last week
- ChEMBL database structure pipelines☆214Updated 11 months ago
- Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows☆155Updated 10 months ago
- Deep generative models of 3D grids for structure-based drug discovery☆231Updated 2 years ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆186Updated 4 years ago
- Facilitates searching, screening, and organizing large chemical databases☆168Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆196Updated 7 months ago