lwreg is a lightweight registration system for chemical registration and data storage.
☆88Feb 9, 2026Updated 3 months ago
Alternatives and similar repositories for lightweight-registration
Users that are interested in lightweight-registration are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.☆65Apr 29, 2026Updated last week
- Some useful RDKit functions☆228Apr 30, 2026Updated last week
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆24Dec 20, 2024Updated last year
- ☆54Jan 17, 2026Updated 3 months ago
- ☆13Apr 15, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆12Oct 9, 2024Updated last year
- Community-Maintained Version of mordred☆105Apr 27, 2026Updated last week
- A molecular identifier and descriptor for all domains of chemistry.☆26Dec 23, 2025Updated 4 months ago
- ChEMBL database structure pipelines☆238Nov 24, 2025Updated 5 months ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- ☆57May 9, 2025Updated 11 months ago
- Chemprop benchmarking scripts and data for v1☆33Jun 4, 2024Updated last year
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆233Apr 21, 2026Updated 2 weeks ago
- Mordred port in cpp☆54Feb 27, 2025Updated last year
- 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.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- A Python package for processing molecules with RDKit in scikit-learn☆219Apr 24, 2026Updated 2 weeks ago
- Write reproducible code for getting and processing ChEMBL☆91Sep 14, 2025Updated 7 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆27Mar 24, 2025Updated last year
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆87Oct 23, 2025Updated 6 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆54Oct 15, 2024Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆27Nov 7, 2025Updated 6 months ago
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.☆285Jan 25, 2026Updated 3 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- CReM: chemically reasonable mutations framework☆268Mar 17, 2026Updated last month
- Materials from the 2023 RDKit UGM☆34Jan 16, 2024Updated 2 years ago
- ☆50Aug 1, 2022Updated 3 years ago
- BitBIRCH clustering algorithm☆127Oct 21, 2025Updated 6 months ago
- rdkit scripts making life easier☆78Mar 18, 2026Updated last month
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Torsion Angular Bin Strings: Quantifying flexibility by introducing a discrete vector representation of a conformer's dihedral angles to …☆17Apr 15, 2026Updated 3 weeks ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- This is a generic C++ library that can be used to rapidly align two small molecules in 3D space, with shape - and optionally color - Tani…☆16Sep 3, 2025Updated 8 months 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.
- Simple package for fast molecular similarity searches☆169Mar 11, 2026Updated last month
- A Multi-Task Generative model for Structure-Based Drug Design☆61Updated this week
- Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"☆20Jan 17, 2024Updated 2 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆65Sep 5, 2022Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- scikit-learn classes for molecular vectorization using RDKit☆202Nov 2, 2025Updated 6 months ago
- Direct-to-SVG small molecule drawer.☆32Feb 17, 2025Updated last year