ugtm: a Python package for Generative Topographic Mapping
☆52May 22, 2026Updated last month
Alternatives and similar repositories for ugtm
Users that are interested in ugtm are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 10 years ago
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 6 years ago
- A lightweight generic cheminformatics toolkit☆20Apr 14, 2016Updated 10 years ago
- ☆15Jan 21, 2025Updated last year
- Computer-aided synthesis planning☆56Updated this week
- 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.
- Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors☆14Apr 13, 2023Updated 3 years ago
- ☆18Jan 26, 2024Updated 2 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- ☆16Apr 10, 2019Updated 7 years ago
- A script to run structural alerts using the RDKit and ChEMBL☆167Feb 17, 2026Updated 4 months ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆29May 4, 2020Updated 6 years ago
- ☆29Dec 19, 2022Updated 3 years ago
- Library for processing molecules and reactions in python way☆52Jun 9, 2026Updated 3 weeks ago
- Exploring QSAR Models for Activity-Cliff Prediction☆24May 17, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Molecular docking with Alchemical Interaction Grids☆31Nov 6, 2025Updated 7 months ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Jul 4, 2019Updated 7 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆124May 1, 2023Updated 3 years ago
- Materials from the 2022 UGM☆46Oct 31, 2022Updated 3 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- C++/Python Library for Systematic Chemical Space Exploration☆25Dec 21, 2021Updated 4 years ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated 11 months ago
- LillyMol Public Code☆136Aug 28, 2025Updated 10 months ago
- Neural networks for amino acid sequences☆22Feb 26, 2018Updated 8 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.
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- ☆13Jul 13, 2019Updated 6 years ago
- ☆14Mar 7, 2024Updated 2 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆28Oct 16, 2023Updated 2 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- ☆33May 30, 2023Updated 3 years ago
- CGRs, molecules and reactions manipulation☆51Oct 31, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆51Jan 10, 2024Updated 2 years ago
- open toolbox for structural comparison☆13Dec 13, 2018Updated 7 years ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- Perception and labelling of stereogenic centres in chemical structures☆20Jun 26, 2026Updated last week
- Fully automated docking pipeline (can be run in distributed environments)☆70Jun 17, 2026Updated 2 weeks ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- Scripts to calculate fingerprints and simiilarity matrices for natural product databases.☆26Apr 3, 2024Updated 2 years ago