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This is the implementation of the Parallel Simulated Annealing with Constraints (PARSAC) algorithm

C++ 10 Updated Jul 30, 2024

Code for peptide ligand design with machine learning models.

Python 21 6 Updated Dec 8, 2024
Python 11 1 Updated Jul 30, 2024

Awesome papers related to generative molecular modeling and design.

318 39 Updated Dec 20, 2024

Multi Objective Simulated Annealing algorithm sample

Python 26 8 Updated Oct 25, 2012
Jupyter Notebook 18 4 Updated Jun 29, 2024

The gzip classification method implemented for molecule classification.

Python 55 9 Updated Sep 16, 2024

SMT-based-STDCELL-Layout-Generator

Perl 16 6 Updated Sep 30, 2021

Official repository of the xLSTM.

Python 1,656 121 Updated Jan 14, 2025

List of papers about Proteins Design using Deep Learning

1,539 185 Updated Jan 29, 2025

Minimal RNN classifier with self-attention in Pytorch

Python 150 30 Updated Dec 21, 2021

The simplest, fastest repository for training/finetuning medium-sized GPTs.

Python 38,966 6,333 Updated Dec 9, 2024

Efficient Python library for Extended LSTM with exponential gating, memory mixing, and matrix memory for superior sequence modeling.

Python 280 23 Updated Jun 28, 2024

Collecting AMP MIC data from different sources, then running a GAN to output promising sequences

Jupyter Notebook 66 15 Updated Aug 2, 2024

Unified Efficient Fine-Tuning of 100+ LLMs & VLMs (ACL 2024)

Python 39,187 4,807 Updated Feb 1, 2025

Combinatorial antibiotic generation

Python 106 21 Updated Jun 23, 2024

my attempts at implementing various bits of Sepp Hochreiter's new xLSTM architecture

Jupyter Notebook 129 9 Updated May 8, 2024

Source code for Neural Information Processing Systems (NeurIPS) 2018 paper "Multi-Task Learning as Multi-Objective Optimization"

Python 1,001 172 Updated Sep 2, 2024

An ongoing MSc research project comparing deep learning models on their capabilities and interpretabilities in generating novel AMPs

Jupyter Notebook 3 1 Updated Apr 3, 2024

A tutorial for the famous non dominated sorting genetic algorithm II, multiobjective evolutionary algorithm.

Jupyter Notebook 14 3 Updated Aug 3, 2020

Python module for Simulated Annealing optimization

Python 648 179 Updated May 3, 2024

Protein Graph Library

Jupyter Notebook 1,057 132 Updated Jan 27, 2025

Peptide optimization with Machine Learning

Jupyter Notebook 70 25 Updated Dec 9, 2022

Example implementations of common machine learning projects in chemistry.

Jupyter Notebook 166 31 Updated Sep 1, 2024
Python 21 5 Updated Feb 2, 2025

A very fast visualization library for large, high-dimensional data sets.

C++ 217 34 Updated Nov 30, 2024

Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.

Python 54 17 Updated Dec 18, 2022
Jupyter Notebook 6 1 Updated Mar 11, 2024

🔬 Path to a free self-taught education in Bioinformatics!

5,764 972 Updated Apr 8, 2024
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