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The fastest automatic differentiation library for C++, with Python bindings. Forward, adjoint and higher-order derivatives, checkpointing, Eigen support and JIT. Reproducible benchmarks against CppAD, Adept and autodiff.
Parsers and algorithms for computational chemistry logfiles
Quantum Computer Library for Everyone
Genomic Pretrained Network - GPN, GPN-MSA, PhyloGPN, GPN-Star
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
Bi-Directional Equivariant Long-Range DNA Sequence Modeling
Mathematical Components compliant Analysis Library
A collection of useful mathematical functions in Elixir with a slant towards statistics, linear algebra and machine learning
Wrapper for RDKit's RunReactants to improve stereochemistry handling
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
A dataset, API, and parser for USDA plant hardiness zones.
🏃 The go-to single-cell Foundation Model
A library of mechanised undecidability proofs in the Coq proof assistant.
A strongly-typed genetic programming framework for Python
Extensive math expression evaluator library for JavaScript and Node.js
Structural variant detection and association testing
TranslatedAntifouling coating evidence panel: formulation sandbox, route biofouling stress, literature bounds. Simulation ≠ measurement. Live: https://simulator.jassyhong.top
Toolbox for the analysis of smFISH images.
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
Research experiments exploring uncommon quant techniques.
The framework for quantification of neuronal anatomy
C# math expression library with symbolic computation support
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.
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.