jourmore

pssmpro

A python tool for numerically encoding protein sequences based on PSSM profile

INSPiRE

knowledge-based protein-protein INteraction Sites PREdictor

SyntaLinker

Automatic Fragment Linking with Deep Conditional Transformer Neural Networks

PyTorch-GraphNVP

Implementation of GraphNVP(https://arxiv.org/abs/1905.11600) using PyTorch.

Pharmacoprint

DeepFMPO

Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"

allosteric-pathways

Building and analyzing residue interaction networks with cofactors (includes tutorial).

pdb-tools

Set of Python scripts designed to be a dependency-free cross-platform swiss army knife for PDB files.

PDB-to-GNM

Apply Normal Mode Analysis to a Protein Data Bank structure (PDB) structure using Gaussian Network Modelling

RINFeatEvol

Utility to compute the evolution of residue interaction network features over a set of structures along an evolutionary trajectory

PeptideBuilder

A simple Python library to generate model peptides

protein-structure-network

Centrality of amino acids in a protein structure network based on atomic correlation data derived from NMA.

Illustrate

Biomolecular Illustration Tool

sap_redesign

PostCaver

The procedure calculates the free binding energy for smallest and largest CAVER's tunnels

draw_rna

Draw RNA secondary structures in python.

Jerkwin.github.io

UTGN

Universal Transforming Geometric Network for protein structure prediction.

TICC

exercise

exercise for nndl

feature-selection_GA-SA

Use Genetic Algorithm and Simulate Anneal for feature selection. 用遗传算法/模拟退火算法进行特征选择.

cx26_energy_network

generate and analyze cx26 pairwise interaction networks based on MMGBSA residue pair energies

ProteinStructureNetworks

Undergrad work developed by Bruno Daiki Yamada under Prof. Dr. Sandro Roberto Marana advisory

AI_Projects

Artificial Intelligence

RINRUS

residue interaction network-based residue selector

pytorch-vae

A Variational Autoencoder (VAE) implemented in PyTorch

MachineLearningInAction-Camp

iPot

A set of programs to calculate inter- and intra-protein contact energies

gausssum

GaussSum extracts and displays information from comp chem output files

sdvae

code for Syntax-Directed Variational Autoencoder that generates programs and molecues