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Starred repositories
You like pytorch? You like micrograd? You love tinygrad! ❤️
A unified interface for reading and writing object file formats
Parallel algorithms and data structures for tree-based adaptive mesh refinement (AMR) with arbitrary element shapes.
Tools to interface ChIMES with various external codes.
Multi-platform high-performance compute language extension for Rust.
a cheat-sheet for mathematical notation in code form
Exercises for learning Rust, by Ferrous Systems
fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and…
Absolute solvation free energy calculations with OpenFF and OpenMM
A cDFT-PC-SAFT package in Python using PyTorch
Data-driven model reduction library with an emphasis on large scale parallelism and linear subspace methods
A generic and fast solver of mode-coupling theory-like integrodifferential equations
Numba Python implementation of SOFT ( Fourier transform on SO(3) )
JDFTx: software for joint density functional theory. To cite this software publication: https://www.sciencedirect.com/science/article/pii/S2352711017300559
Hyper-netted chain (HNC) solver for Ornstein-Zernike (OZ) equation
Codes for solving Ornstein-Zernike equation with Picard iteration method
The Charm++ parallel programming system. Visit https://charmplusplus.org/ for more information.
Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)
XR Animator, AI-based Full Body Motion Capture and Extended Reality (XR) solution, powered by System Animator Online
poinco-gogo / AlphaCutter
Forked from johnnytam100/AlphaCutterThis repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.
An Emacs framework for the stubborn martian hacker
Parallel solvers for sparse linear systems featuring multigrid methods.