Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
- pytorch
- protein-structure
- alphafold2
Repository Index
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Model-rocketry aerodynamics and trajectory simulation software
- aerospace
- flight-simulator
- java
- modeling
SIMD-accelerated distances, dot products, matrix ops, geospatial & geometric kernels for 16 numeric types — from 6-bit floats to 64-bit complex — across x86, Arm, RISC-V, and WASM, with bindings for Python, Rust, C, C++, Swift, JS, and Go 📐
🦖 ClawBio - The first bioinformatics-native AI agent skill library. Local-first. Reproducible. Open. Free.
Scientific workflow engine designed for simplicity & scalability. Trivially transition between one off use cases to massive scale production environments
Open-source cross-platform symbolic algebra library for C# and F#. Can be used for both production and research purposes.
- csharp
- algebra
- integration
- latex
A Python Package for Protein Dynamics Analysis
- python
- protein
- dynamics
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.
- automatic-differentiation
- aad
- algorithmic-differentiation
- autodiff
PyKEP is a scientific library providing basic tools for research in interplanetary trajectory design.
- interplanetary
- mission-analysis
- astrodynamics
- aerospace
Produce a sharp image of a planetary system object (moon, sun, planets) from many seeing-affected frames according to the "lucky imaging" technique.
OpenAeroStruct is a lightweight tool that performs aerostructural optimization using OpenMDAO.
- openmdao
- optimization
- aerodynamics
- open-source
Native R and Python sample-deletion robustness for omics: candidate certificates, minimum deletion bounds, Bioconductor model refits and donor-level pseudobulk
- bioinformatics
- exact-optimization
- metabolomics
- paired-data
Solve automatic numerical differentiation problems in one or more variables.
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
ENIGMA HALFpipe is a user-friendly software that facilitates reproducible analysis of fMRI data
- neuroimaging
- reproducibility
- pipeline
- meta-analysis
:dart: Accurate sums and dot products for Python.
- mathematics
- numerical-methods
- engineering
- accuracy
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- benchmark
- bioinformatics
- cheminformatics
- computational-chemistry
A dependency-free Linear Algebra, Statistics, and Machine Learning library written from scratch in V