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This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accuracy".

Python 15 2 Updated Oct 3, 2024

Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…

Python 958 119 Updated Jan 30, 2025

Network Analysis in Python

Python 15,345 3,292 Updated Feb 3, 2025

The entire collection of San Francisco Pro Fonts

1,555 247 Updated Jan 29, 2023

Download PDF from Sci-Hub automatically For Zotero7

TypeScript 414 6 Updated Jan 6, 2025

TeXstudio is a fully featured LaTeX editor. Our goal is to make writing LaTeX documents as easy and comfortable as possible.

C++ 2,935 351 Updated Feb 2, 2025

🗑️ Cleanup script for macOS (DEPRECATED)

Shell 2,657 249 Updated May 21, 2023

👨‍💻 Python cleanup script for macOS

Python 1,782 69 Updated Jan 24, 2025

Template for writing a PhD thesis in Markdown

HTML 1,219 558 Updated May 23, 2023

The LaTeX template for Rutgers MS Thesis or PhD Dissertation

TeX 58 16 Updated Dec 4, 2024

🔺 Ternary plotting library for python with matplotlib

Python 747 157 Updated Jun 12, 2024

train and use graph-based ML models of potential energy surfaces

Python 69 4 Updated Feb 2, 2025

Matbench: Benchmarks for materials science property prediction

Python 141 47 Updated Aug 20, 2024

解决Cursor在免费订阅期间出现以下提示的问题: You've reached your trial request limit. / Too many free trial accounts used on this machine. Please upgrade to pro. We have this limit in place to prevent abuse. Please l…

Go 7,858 1,072 Updated Jan 31, 2025

An automatic engine for predicting materials properties.

Python 144 50 Updated Nov 12, 2023

DopeFlow: DFT Calculation Workflow for Atomic Substitution Problem

Shell 1 Updated Jan 14, 2025

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

Python 202 53 Updated Jan 29, 2025

TorchBench is a collection of open source benchmarks used to evaluate PyTorch performance.

Python 901 296 Updated Jan 31, 2025

Keep track of whether you've read items in Zotero

TypeScript 328 7 Updated Jan 8, 2025

A plugin that does one thing only: Detect and manage duplicate items in Zotero.

TypeScript 469 3 Updated Jan 27, 2025

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

Jupyter Notebook 304 30 Updated Jan 23, 2025

Graphormer is a general-purpose deep learning backbone for molecular modeling.

Python 2,200 344 Updated Jun 7, 2024

Drop in a screenshot and convert it to clean code (HTML/Tailwind/React/Vue)

Python 67,715 8,270 Updated Jan 24, 2025

Neural Network Force Field based on PyTorch

Jupyter Notebook 253 54 Updated Jan 29, 2025

Matplotlib tutorial for beginner

Python 2,996 811 Updated May 27, 2024

Let your Claude able to think

TypeScript 14,048 1,643 Updated Jan 23, 2025

Generative modeling of molecular dynamics trajectories

Python 137 14 Updated Nov 11, 2024

Developer version of EosNet for fixing bugs & adding features

Python 1 Updated Jan 13, 2025

fplib3 for clusters

Python 2 Updated Sep 11, 2024
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