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Python 1,215 94 Updated Feb 8, 2025

😎 A curated list of awesome Molecular Dynamics libraries, tools and software.

108 35 Updated Aug 2, 2021

Plausibility checks for generated molecule poses.

Python 250 14 Updated Jan 26, 2025

[IEEE Trans. AI 2024] Spiking Diffusion Models

Python 35 6 Updated Sep 19, 2024

A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations

Python 12 9 Updated Feb 20, 2023

Listing of papers about machine learning for proteins.

1,575 211 Updated May 31, 2024
Python 14 5 Updated Feb 3, 2025

Machine learning and deep learning resources

523 79 Updated Jan 13, 2025

Welcome to the Physics-based Deep Learning Book (v0.2)

Jupyter Notebook 1,039 166 Updated Dec 9, 2024

ProtVec can be used in protein interaction predictions, structure prediction, and protein data visualization.

Python 33 9 Updated Dec 8, 2022

The fastai book, published as Jupyter Notebooks

Jupyter Notebook 22,491 8,640 Updated Aug 16, 2024

A deobfuscator for PyArmor.

Python 589 84 Updated Jan 11, 2025

Accompanying code to Casey and Follows, 2020. A flexible and easy-to-use model of microbial acclimation to nutrient availability.

MATLAB 3 Updated Jul 10, 2020

Python library to run structure based model (SBM) simulations using the OpenMM toolkit

Jupyter Notebook 22 8 Updated Jul 24, 2022

My web page containing all the demos from my youtube channel "Ten Minute Physics" www.youtube.com/c/TenMinutePhysics

JavaScript 709 150 Updated Feb 7, 2025

OpenMM tutorial for the MSBS course

Jupyter Notebook 158 44 Updated Feb 3, 2025

MoleculeKit: Your favorite molecule manipulation kit

Python 209 38 Updated Jan 30, 2025

Material for a full course on applied nonlinear dynamics, nonlinear timeseries analysis, and complex systems, in Julia

Jupyter Notebook 58 15 Updated Aug 22, 2024

Collection of Pytorch lightning tutorial form as rich scripts automatically transformed to ipython notebooks.

Python 298 80 Updated Feb 7, 2025

21 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/

Jupyter Notebook 70,218 36,281 Updated Feb 4, 2025

Open Source LLM toolkit to build trustworthy LLM applications. TigerArmor (AI safety), TigerRAG (embedding, RAG), TigerTune (fine-tuning)

Jupyter Notebook 389 25 Updated Dec 2, 2023

Benchmarking common tasks on proteins in various languages and packages

Python 41 6 Updated Dec 27, 2020
Python 68 11 Updated Aug 23, 2023

Post-processing of data generated by the GIST (Grid Inhomogeneous Solvation Theory) action in cpptraj

Jupyter Notebook 6 4 Updated Jan 18, 2025

Predict the structure of immune receptor proteins

Jupyter Notebook 124 32 Updated Jan 28, 2025
Jupyter Notebook 67 18 Updated Jun 13, 2019

Secure, cross-platform Git credential storage with authentication to GitHub, Azure Repos, and other popular Git hosting services.

C# 7,213 1,942 Updated Feb 5, 2025

Antibody Numbering and Antigen Receptor ClassIfication

Python 199 99 Updated May 21, 2024

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

Python 3,408 662 Updated Feb 7, 2024

Protein Graph Library

Jupyter Notebook 1,061 132 Updated Feb 4, 2025
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