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GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.

Python 100 8 Updated Feb 13, 2024

Burn is a next generation Deep Learning Framework that doesn't compromise on flexibility, efficiency and portability.

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ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.

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arXiv LaTeX Cleaner: Easily clean the LaTeX code of your paper to submit to arXiv

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AsymmetriC AutoeNcodEr (ACANE → AkAne). This model is part of MSc Electrochemistry and Battery Technologies project (2022 - 2023), University of Southampton.

Python 2 Updated Jun 11, 2024

Official PyTorch implementation of "Comprehensive Molecular Representation from Equivariant Transformer" paper https://arxiv.org/abs/2308.10752. Made in Cardiff University.

Python 3 1 Updated Apr 8, 2025

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

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Code for loralib, an implementation of "LoRA: Low-Rank Adaptation of Large Language Models"

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A Python package for working with electrochemical impedance data

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The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3

Python 28 4 Updated Mar 25, 2025

(ARCHIVED) A desktop application to merge, split, add watermark, rotate and rearrange pages, and set password to PDF files.

Python 44 10 Updated Apr 28, 2025

A set of Python utilities for reading JCAMP-DX files.

Python 54 31 Updated Jan 8, 2025
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