Pinned Repositories
3Dmol.js
WebGL accelerated JavaScript molecular graphics library
3ob
DFTB 3ob parameters
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
ABACUS-orbitals
autodE
automated reaction profile generation
dispersion_pyscf
PySCF extensions for dispersion calculations
madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
parf
PARF - Parallel Random Algorithm
prettytable
Automatically exported from code.google.com/p/prettytable
pymf
Matrix Factorization Methods for Python (pymf)
chrinide's Repositories
chrinide/ACDB
chrinide/aims_cube
Cube File Toolkit for FHI-aims
chrinide/apvlv
chrinide/BFEE2
binding free energy estimator 2
chrinide/carmm
Scripts for creation, manipulation and analysis of geometric and electronic structure of molecular models
chrinide/cathunu-bhallifa
悟数学
chrinide/ccpy
Coupled-cluster package written in Python.
chrinide/dcaspt2_input_generator
GUI tool for supporting the generation of input files for dirac_caspt2(https://github.com/RQC-HU/dirac_caspt2) calculation.
chrinide/dirac_caspt2
Relativistic second order multi-configuration perturbation calculation program with 1- and 2-electron integrals obtained from the DIRAC calculation.
chrinide/dlno_pyscf
Domain truncated local natural orbital methods
chrinide/ebook2audiobookXTTS
Generates an audiobook with chapters and ebook metadata using Calibre and Xtts from Coqui tts, and with optional voice cloning, and supports multiple languages
chrinide/electronic-parsers
chrinide/eminus
A pythonic plane wave density functional theory (DFT) code.
chrinide/geogebra
GeoGebra trunk (testing)
chrinide/gmtkn55-fhiaims
GMTKN55 inputs in FHI-aims format
chrinide/hilbert_psi4
chrinide/ineqmath
Solving Inequality Proofs with Large Language Models.
chrinide/koopmans
Implementation of Koopmans-compliant functionals in Quantum ESPRESSO
chrinide/Kylin-V
TD-DMRG and VHCI package
chrinide/libsdp
chrinide/mrchem
MultiResolution Chemistry
chrinide/mVMC
A numerical solver package for a wide range of quantum lattice models based on many-variable Variational Monte Carlo method
chrinide/ORCA_CompoundScripts
Collection of 'compound scripts' for use with the ORCA quantum chemistry software
chrinide/polymer
quantum chemistry
chrinide/qBittorrent-Enhanced-Edition
[Unofficial] qBittorrent Enhanced, based on qBittorrent
chrinide/qm9pack
A Python package for data-mining the QM9 dataset
chrinide/qmd-progress
PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
chrinide/quimb
A python library for quantum information and many-body calculations including tensor networks.
chrinide/Triple-SOS
Automated sum-of-squares (SOS) Prover for Algebraic Inequalities | Python-based tool with GUI & API | Generates readable sum-of-squares proofs for Olympiad-level problems. Built on SymPy.
chrinide/vdW-MBDWan-code