bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
- huggingface
- bert
- chemical-modelling
- chemical-smiles-data
Repository Index
47,133 repositories indexed
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Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
Python version of the SGP4 satellite position library
Universal cheminformatics toolkit, utilities and database search tools
- indigo
- bingo
- cheminformatics
- chemistry
A formalization of geometry in Coq based on Tarski's axiom system
Associated Repository for "Translation between Molecules and Natural Language"
The official NFFT library repository
- nfft
- fftw
- fourier-transform
- c
Repository for Nicheformer: a foundation model for single-cell and spatial omics
Simple Features is a pure Go Implementation of the OpenGIS Simple Feature Access Specification
A framework for high-performance domain decomposition methods.
- c-plus-plus
- linear-algebra
- python
- fortran
Mission-control style spacecraft tracker in Rust: live ISS, Dragon, Hubble, JWST and Roman orbits, passes and schedules. Retro CRT themes, and a mode for Raspberry Pi + composite CRT.
Coq Repository at Nijmegen [maintainers=@spitters,@VincentSe,@Lysxia]
- coq-library
- real-number
- coq
- coq-ci
Repository for paper scMulan: a multitask generative pre-trained language model for single-cell analysis.
- foundation-models
- gpt
- single-cell
Zero-dependency 128-bit fixed-point decimal for Go. Exact SQL NUMERIC / PostgreSQL semantics, no heap allocation, no panics — built for money, ledgers and banking arithmetic.
- decimal
- fixed-point
- go
- golang
A powerful library extending VBA with over 100 functions for math, stats, finance, and data manipulation. It supports matrix operations, and user-defined functions, enhancing automation and analysis within Microsoft Office and LibreOffice environments for data management, financial calculations, an more.
- equation-systems
- mathematical-expression-parser
- mathematical-expressions-evaluator
- determinant-calculation
Updated infix.cl of the CMU AI repository, originally written by Mark Kantrowitz
- infix-notation
- common-lisp
- mathematics
A foundation model-driven whole slide image-scale cell phenotyping method with QuPath integration Resources
- bioimage-analysis
- cell-classification
- computer-vision
- digital-pathology
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
Data logistics system enabling real-time pathogen surveillance. Built for the Seattle Flu Study.
- postgres
- postgresql
- python
- infectious-disease
This is a class module in beta state to implement computations with large integers and reals/rationals numbers, while proposing representation of numerical values as scientific notation, allowing to obtain several cohorts for the same number (a lot of fun!).
- arithmetic
- biginteger
- biginteger-library
- fractional