An open library for the analysis of molecular dynamics trajectories
- molecular-dynamics
- python
- mdtraj
- rmsd
Repository Index
47,133 repositories indexed
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A C implementation for creating 2D Voronoi/Delauney diagrams
A Go package for engineering organisms.
- synthetic-biology
- synbio
- genetic-engineering
- molecular-biology
Robust Tetrahedral Meshing in the Wild.
- geometry-processing
- tetrahedral-meshing
- surface-repair
- 3d-triangulation
VexCL is a C++ vector expression template library for OpenCL/CUDA/OpenMP
- opencl
- cuda
- c-plus-plus
- gpgpu
Clinical Histopathology Imaging Evaluation Foundation Model
A flexible framework for solving PDEs with modern spectral methods.
- spectral-methods
- fluid-dynamics
- pde-solver
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
RBDL is a C++ library that contains some essential and efficient rigid body dynamics algorithms such as the Articulated Body Algorithm (ABA) for forward dynamics, Recursive Newton-Euler Algorithm (RNEA) for inverse dynamics, the Composite Rigid Body Algorithm (CRBA) for the efficient computation of the joint space inertia matrix and is also able to compute forward dynamics with external contact constraints and collision impulses. Furthermore it has some basic support for forward and inverse kinematics.
- articulated-body-algorithm
- inverse-dynamics
- forward-dynamics
- multi-body-dynamics
Official release of the ProGen models
- language-model
- protein
- generative-model
:1234: Bits, bytes and general-purpose calculator
- storage
- storage-unit-converter
- command-line
- standalone
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
C++ library and cmdline tools for parsing and manipulating VCF files with python and zig bindings
- variant-calling
- genomics
- vcf-manipulation
- genotyping
Firedrake is an automated system for the portable solution of partial differential equations using the finite element method (FEM)
Chebfun: numerical computing with functions.
Interactive network visualization in Python and Dash, powered by Cytoscape.js
- plotly-dash
- plotly
- dash
- cytoscape
Modern C++ quantum computing library
- quantum-computing
- c-plus-plus
- cpp
- cpp11
Fast, sensitive and accurate integration of single-cell data with Harmony
Algebraic Multigrid Solvers in Python
- amg
- solver
- python
- multigrid
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
A Free and Open Source Python Library for Multiobjective Optimization
- optimization
- multiobjective
- evolutionary
- algorithm
Nonconvex embedded optimization: code generation for fast real-time optimization + ROS support
- embedded-optimization
- nonconvex
- model-predictive-control
- rust-library
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
Prov-GigaPath: A whole-slide foundation model for digital pathology from real-world data