A very fast visualization library for large, high-dimensional data sets.
☆258Jun 1, 2026Updated last month
Alternatives and similar repositories for tmap
Users that are interested in tmap are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python module for generating interactive views of chemical spaces.☆76Feb 19, 2023Updated 3 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆124May 1, 2023Updated 3 years ago
- Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring syste…☆13May 25, 2020Updated 6 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- WebGL engine for (big) data visualization.☆30Oct 26, 2023Updated 2 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆82Jun 1, 2025Updated last year
- Ms2 basEd saMple vectOrization (memo) package☆17Jun 13, 2023Updated 3 years ago
- Molecular MHFP fingerprints for cheminformatics applications☆98Feb 16, 2023Updated 3 years ago
- ☆17Dec 13, 2020Updated 5 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- ☆179Apr 22, 2022Updated 4 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- A python package for chemical space visualization.☆153Jun 1, 2026Updated last month
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆186Sep 18, 2023Updated 2 years ago
- Molecular bloom filter tool☆129Mar 23, 2026Updated 3 months ago
- Molecule Validation and Standardization☆187Apr 16, 2020Updated 6 years ago
- RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chem…☆376Feb 13, 2026Updated 4 months ago
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆209Aug 12, 2021Updated 4 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆508Jun 21, 2026Updated last week
- Reaction SMILES-AA mapping via language modelling☆29Sep 11, 2024Updated last year
- Some useful RDKit functions☆234Jun 1, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆82Apr 13, 2021Updated 5 years ago
- Explainer for black box models that predict molecule properties☆354Apr 1, 2026Updated 3 months ago
- ☆16Oct 28, 2019Updated 6 years ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆852May 17, 2025Updated last year
- Interactive molecule viewer for 2D structures☆256Dec 27, 2025Updated 6 months ago
- CGRs, molecules and reactions manipulation☆51Oct 31, 2022Updated 3 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆290Jun 3, 2026Updated last month
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- Create molecular hashes☆27Jul 18, 2019Updated 6 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- CReM: chemically reasonable mutations framework☆276Jun 17, 2026Updated 2 weeks ago
- Reaction Analysis through Imaging of Chemical Units☆17Dec 5, 2025Updated 6 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,027Updated this week
- ☆99Dec 19, 2022Updated 3 years ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆198Jan 27, 2022Updated 4 years ago
- Synthesis generative model☆48Apr 24, 2025Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆87Aug 5, 2024Updated last year