NAKATA Maho's repositories
pubchemqc_b3lyp_pm6
Scrips for pubchemqc_b3lyp_pm6 just for reference.
mplapack-tests
some source files for testing future of mplapack
3Dmol.js
WebGL accelerated JavaScript molecular graphics library
azurechatgpt
🤖 Azure ChatGPT: Private & secure ChatGPT for internal enterprise use 💼
cclib
Parsers and algorithms for computational chemistry logfiles
ChatPaper
Use ChatGPT to summarize the arXiv papers.
chemprop
Message Passing Neural Networks for Molecule Property Prediction
crest
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
flintcxx
A C++ interface for Flint
gmpfrxx
A C++ interface for GMP and MPFR by Jon Wilkening
gmpxx_mkII
Yet another implementation of a C++ wrapper for GMP.
hande
Open source stochastic quantum chemistry
lapack
LAPACK development repository
libqd3
libqd3: a minor fork of libqd; double-double and quad-double precision arithmetic
madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
mpfr_class
The mpfr_class is a yet another C++ class designed to facilitate high-precision arithmetic operations using the MPFR library licensed under 2-clause BSD license.
mX_real
Yet another C++ compound multiprecision
nofwl
NoFWL Desktop Application
open-interpreter
OpenAI's Code Interpreter in your terminal, running locally
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
sdpa
SDPA 7.1.1 Reference Repository - [taken from https://sdpa.sourceforge.net/]
sdpa-binary128
Binary128 (aka quadruple precision) version of SDPA
sdpa-dd
SDPA double-double (approx quadruple precision) version
sdpa-dd-cuda
SDPA double-double version in CUDA
stable-diffusion-webui-docker
Easy Docker setup for Stable Diffusion with user-friendly UI
text-generation-webui
A gradio web UI for running Large Language Models like GPT-J 6B, OPT, GALACTICA, LLaMA, and Pygmalion.