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DrugOnix
- South Korea
- https://drugonix.com/
- https://orcid.org/0000-0003-1802-3430
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Vizro is a toolkit for creating modular data visualization applications.
Pymol-open-source wheels for Python on Windows
The open source Firebase alternative. Supabase gives you a dedicated Postgres database to build your web, mobile, and AI applications.
Baselines models for GuacaMol benchmarks
Lazy Predict help build a lot of basic models without much code and helps understand which models works better without any parameter tuning
🚪✊Knock Knock: Get notified when your training ends with only two additional lines of code
An open-source & self-hostable Heroku / Netlify / Vercel alternative.
Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion
A single model for all your molecular design tasks
A foundational package for molecular predictive modelling
Simple, minimal implementation of the Mamba SSM in one file of PyTorch.
A curated list of Cheminformatics libraries and software.
Takshan / pyqsar3
Forked from Chemoinfomatics/pyqsar3pyqsar for python 3.7 or higher
minLoRA: a minimal PyTorch library that allows you to apply LoRA to any PyTorch model.
PatWalters / iSIM
Forked from mqcomplab/iSIMModule containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real …
In process work on active learning tutorials
molfeat - the hub for all your molecular featurizers
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
An implementation of Delaney's ESOL method using the RDKit
Robust representation of semantically constrained graphs, in particular for molecules in chemistry