dominikusbrian Goto Github PK

artisankit

A Toolkit for Craftsman/woman Doing Research in Computational Chemistry, Machine Learning, and Beyond.

ase_ani

ANI-1 neural net potential with python interface (ASE)

catboss

CATBOSS: Cluster Analysis of Trajectories Based on Segment Splitting

chem-ga-2600

Notebooks for NYU Statistical Mechanics

cz_xiaozhuli

db-gpt

deltapv

A photovoltaic simulator with automatic differentiation

ditto

Eclipse Ditto™: Digital Twin framework of Eclipse IoT. Optional W3C Web of Things (WoT) integration.

domiweb

durf_hq

The headquarter of all DURF project @ Sun Group NYUSH

energyscope

EnergyScope energy modeling framework

examples

Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.

exckel

creating summaries from excited state calculations from different QC software

fgr

Equilibrium and Non-Equilibrium Fermi's Golden Rule for Charge Transfer Rates

gensim

Topic Modelling for Humans

gryffin

handson-ml

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

howtolivelonger

程序员延寿指南 | A programmer's guide to live longer

hte_degradation_chamber

High throughput degradation chamber for aging perovskite samples under extreme humidity, heat, and illumination.

hte_degradation_chamber_gen2

High throughput degradation chamber for aging perovskite samples under extreme humidity and illumination.

internlm

InternLM has open-sourced a 7 billion parameter base model, a chat model tailored for practical scenarios and the training system.

lamini

libheom

metagpt

🌟 The Multi-Agent Framework: Given one line Requirement, return PRD, Design, Tasks, Repo

mymd

Integrated Console for Molecular Simulations

olympus

Olympus: a benchmarking framework for noisy optimization and experiment planning

openquantumtools.jl

Julia toolkit for open quantum system simulation.

opep

paperscraper

A web scraping tool to systematically extract the text of scientific papers and corresponding metadata from university accessible journals.