233 Open source projects that are alternatives of or similar to QCFractal

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

Quantum Mechanical Bespoke Force Field Derivation Toolkit

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

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

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

adcc: Seamlessly connect your program to ADC

A PyMOL plugin for visualizing vibrations in molecules and solids

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

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

Python API for the extended tight binding program package

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

Legacy code connected to the high-assurance implementation of the Ouroboros protocol family

Simple shared surface streaming application

A system for development of high-performance, data-intensive, distributed computing, applications, tools, and libraries.

C++ based DFT program for educational purposes

common runtime environment for distributed programming languages

Tutorials to help you build your first Swim app

Build and submit workflows to HTCondor in Python

An Asynchronous Distributed C++ Array Processing Toolkit

Hydra Hot Potato Player (game)

An API-first distributed deployment system of deep learning models using timeseries data to predict the behaviour of systems

General purpose tools for high-throughput catalysis

ZeroMQ based distributed patterns

SRDS 2020: End-to-End Evaluation of Federated Learning and Split Learning for Internet of Things

Fast and easy parallel mapreduce on HPC clusters

Distributed, workflow-driven integration environment

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

Materials related to my talk "Pat Helland and Me"

A distributed block-based data storage and compute engine

Quantum Package : a programming environment for wave function methods

SANSA Query Layer

screenlamp is a Python toolkit for hypothesis-driven virtual screening

An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.

😇 A Docker Compose bundle to run on servers with spare CPU, RAM, disk, and bandwidth to help the world. Includes Tor, ArchiveWarrior, BOINC, and more...

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

Yet another distributed compute framework

SANSA Machine Learning Layer

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

An easy-to-use WebUI for crypto plotting and farming. Offers Plotman, MadMax, Chiadog, Bladebit, Farmr, and Forktools in a Docker container. Supports Chia, MMX, Chives, Flax, HDDCoin, and BPX among others.

Teaching Utility for Classical Atomistic Simulation.

Proto Actor - Ultra fast distributed actors

Python for streams

Decentralized Computing Backend for Artificial Intelligence, Web3, Metaverse, and Gaming Application

🎛 Distributed machine learning made simple.

Unleash the power of cloud

Python framework for asynchronous, concurrent, distributed, network programming with coroutines

Jessica - Jessie (secure distributed Javascript) Compiler Architecture

Julia Operators LIbrary

Graph-based machine learning for chemical property prediction

WRENCH: Cyberinfrastructure Simulation Workbench

Proto Actor - Ultra fast distributed actors for Go, C# and Java/Kotlin

Quantum mechanic mass spectrometry calculation program

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

.NET Core framework for inter-service communication

JSON messaging based socket interface with multi-threaded server and client

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

dask-pytorch-ddp is a Python package that makes it easy to train PyTorch models on dask clusters using distributed data parallel.

julia package for running code on slurm clusters

Distributed process pool for Python

Prime95 source code from GIMPS to find Mersenne Prime.