ugtm: a Python package for Generative Topographic Mapping
☆53May 22, 2026Updated 5 months ago
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:
- GTM (Generative Topographic Mapping)☆17Jul 15, 2019Updated 7 years ago
- Library for processing molecules and reactions in python way☆56Updated this week
- Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors☆15Apr 13, 2023Updated 3 years ago
- ☆15Jan 21, 2025Updated last year
- Autoregressive 3D molecular generation with a set transformer model.☆12May 6, 2026Updated 6 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆16Jul 19, 2015Updated 11 years ago
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆88Oct 29, 2026Updated last week
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- ☆16Apr 10, 2019Updated 7 years ago
- A lightweight generic cheminformatics toolkit☆21Apr 14, 2016Updated 10 years ago
- BitBIRCH clustering algorithm☆134Oct 21, 2025Updated last year
- NISPO: Nomenclature Inference for Structures, Powered by OPSIN☆21Aug 23, 2026Updated 2 months ago
- A script to run structural alerts using the RDKit and ChEMBL☆173Feb 17, 2026Updated 8 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆19Jan 26, 2024Updated 2 years ago
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆18Feb 4, 2025Updated last year
- Layered Chemical Identifier☆14Jun 12, 2026Updated 4 months ago
- Cheminformatic extension for SQLAlchemy☆18Aug 9, 2026Updated 2 months ago
- ☆30Dec 19, 2022Updated 3 years ago
- Materials from the 2022 UGM☆46Oct 31, 2022Updated 4 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆125May 1, 2023Updated 3 years ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Jul 4, 2019Updated 7 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Code for the Metric Learning for Kernel Ridge Regression algorithm☆13Jun 6, 2024Updated 2 years ago
- Algorithmic inversion of extended connectivity fingerprints (ECFP)☆25Sep 21, 2024Updated 2 years ago
- ☆32Oct 20, 2026Updated 2 weeks ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆29May 4, 2020Updated 6 years ago
- Molecular docking with Alchemical Interaction Grids☆33Nov 6, 2025Updated last year
- Neural networks for amino acid sequences☆22Feb 26, 2018Updated 8 years ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆40Updated this week
- Computer-aided synthesis planning☆60Updated this week
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Thompson Sampling☆81May 7, 2025Updated last year
- ☆13Jul 13, 2019Updated 7 years ago
- rdkit scripts making life easier☆81Oct 27, 2026Updated last week
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- A foundational package for molecular predictive modelling☆96Oct 16, 2024Updated 2 years ago
- Molecular Set Representation Learning☆51Jul 16, 2025Updated last year
- ☆102Aug 23, 2024Updated 2 years ago