AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

In silico directed evolution of peptide binders with AlphaFold

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides

Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.

A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files

This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology file

基于 LKY_OfficeTools 构建的图形化版本。一键自动化下载、安装、激活 Office 正版的办公增强工具。该工具完全免费、无广告、绿色、无毒、简约、高效、安全。

教程

Solvation Structure and Thermodynamic Mapping

Sapiens is a human antibody language model based on BERT.

AbLang: A language model for antibodies

machine learning, molecular descriptor

List of papers about Proteins Design using Deep Learning

Collects software dedicated to predicting specific properties of peptides

Machine Learning Designs Non-Hemolytic Antimicrobial Peptides

Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.

Metrics for measuring our multilabel model

iFeature is a comprehensive Python-based toolkit for generating various numerical feature representation schemes from protein or peptide sequences. iFeature is capable of calculating and extracting…

Learning to Learn using One-Shot Learning, MAML, Reptile, Meta-SGD and more with Tensorflow

Code for "Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks"

A new approach for representing biological sequences

Feature Selection using Genetic Algorithm (DEAP Framework)

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

A Python-based Effective Feature Generation Tool from DNA, RNA, and Protein Sequences

This project is meant to work as a template for a binary CNN classification problem