100 Open source projects that are alternatives of or similar to adcc

stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)

Python API for the extended tight binding program package

A PyMOL plugin for visualizing vibrations in molecules and solids

Periodic table, physical constants, and molecule parsing for quantum chemistry.

Quantum Mechanical Bespoke Force Field Derivation Toolkit

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

Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

In silico chemical library engine for high-accuracy chemical property prediction

A distributed compute and database platform for quantum chemistry.

NequIP is a code for building E(3)-equivariant interatomic potentials

Gauge-including magnetically induced currents.

Mirror of PyARPES (gitlab/lanzara-group/python-arpes) the open source ARPES analysis framework

quantum-dynamics-hub.github.io/libra/index.html

If you have a private powerwall of 18650 cells, this is the battery management system you need. The small PCB is equipped with the cheap Arduino Nano.

ADC Hub Server

Repository of code notebooks for tutorials at IEEE Quantum Week (QCE20) https://qce.quantum.ieee.org/tutorials/

RS485 ModBus tiny multi-sensor module

ACTIN is a Python program to calculate stellar activity indices

Hyperspectral image processing library

A Python wrapper for PaDEL-Descriptor software

QE-GIPAW for Quantum-Espresso (official repository)

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.

A Software to interactively edit data in a graphical manner

Citrix ADC (Formerly Netscaler) templates and scripts for AWS deployment

Variational Quantum Eigensolver with Fewer Qubits

R package: Misc. Functions for Processing and Sample Selection of Spectroscopic Data

Deep Tensor Neural Network

Graph-based machine learning for chemical property prediction

An Arduino library for the 16-bit, 4 channel ADS1115 ADC. Convenient to use. All features of the ADS1115 are implemented, including alert functions.

🎉 Simple restricted Hartree-Fock code in Python

Quantum simulations of nonlinear spectroscopy and dynamics for molecular aggregates

🧬 An R package for visualizing molecular data in 3D

HX711 full function driver for general MCU and Linux.

Quickly generate, start and analyze benchmarks for molecular dynamics simulations.

fast functionalisation of molecules

⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.

Sup bois, here's my work

Tight-binding parameter fitting package (TBFIT) for Slater-Koster method

A Community Tool for Transiting Exoplanet Science with the JWST & HST

A Nagios Plugin written in Perl for the Citrix ADC (formerly Citrix NetScaler). It uses the NetScaler NITRO API.

DeepChem 2017: Deep Learning & NLP for Computational Chemistry, Biology & Nano-materials

Application components for STMicro STM32 MCUs

Galaxy Line Emission & Absorption Modeling

sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model

General purpose tools for high-throughput catalysis

Quantum mechanic mass spectrometry calculation program

NWChem: Open Source High-Performance Computational Chemistry

screenlamp is a Python toolkit for hypothesis-driven virtual screening

Semiempirical Extended Tight-Binding Program Package

pcf8591 full function driver

Quantum Package : a programming environment for wave function methods

pyMCR: Multivariate Curve Resolution for Python

Fermi quantum chemistry program

A peak-fitting tool based on MATLAB for spectroscopic data analysis.

⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages

Teaching Utility for Classical Atomistic Simulation.

C++ based DFT program for educational purposes

ChiantiPy is a python package to calculate the radiative properties of astrophysical plasmas based on the CHIANTI atomic database