Display and control your Android device

SumatraPDF reader

OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

A Small C Compiler

A command-line based markdown presentation tool.

Adding support for the Rust language to the Linux kernel.

USTC计算机学院课程资源

📝 南哪课程复习资料 Review materials for NJU

Asiatic pTeX

QUICK: A GPU-enabled ab intio quantum chemistry software package

An E(3) equivariant Graph Neural Network for predicting electronic Hamiltonian matrix

Classical molecular simulation code

Installable VMD as a python module

PReconditioned Iterative MultiMethod Eigensolver for solving symmetric/Hermitian eigenvalue problems and singular value problems

A C language SIXEL encoder/decoder implementation, forked from saitoha/libsixel after @saitoha vanished. Receives security patches, accepts PR's filed preferably here but also at saitoha/libsixel.

PySCF with auto-differentiation

molecular point group symmetry lib

A C++ library for evaluating non-orthogonal matrix elements in electronic structure

Fast computation of the Baker-Campbell-Hausdorff and similar series.

This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A. Szabo and N. Ostlund. I have included a built executable "s…

A naive implementation of heat-bath selected CI

python3 interface for DMRG code block 1.5.3

Toolkit for reciprocal space of crystal lattice

PyTorch-based C-Interface for Integrals.

an external interface for Gaussian to invoke Grimme's DFT-D4 for single-point energy, optimization (or frequency int later version,, the bug is not fixed yet).

markdown编译器+html幻灯片/paper模板

An interface for Gaussian External with Grimme's gCP, so that the optimization task of Gaussian can be run with gCP. See manual/README.md for details.