Stars
nanobind: tiny and efficient C++/Python bindings
Differentiable, Hardware Accelerated, Molecular Dynamics
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
Always know what to expect from your data.
Project for the monitoring and optimization of plant care.
A curated list of awesome Machine Learning frameworks, libraries and software.
distfit is a python library for probability density fitting.
Recombinator is a Python package for statistical resampling in Python. It provides various algorithms for the iid bootstrap, the block bootstrap, as well as optimal block-length selection.
All GROMACS/NAMD initializing files for generating initial structures for polydisperse chains with a set of residues desired by the user. With LigninBuilder, all lignin topologies can be built dire…
Minimal examples of data structures and algorithms in Python
TensorFlow for macOS 11.0+ accelerated using Apple's ML Compute framework.