stevenshave Goto Github PK

aminonaut

Software to identify and analyse nullomer peptides from UniProt data

competition-label-affinity

An investigation into the impact of labelled ligand affinity in competition experiments

dmcg

kaprekarsconstant-csharp

C# program which looks for kaprekars constants in multiple number bases and lengths

kaprekarsconstants

Searching for more Kaprekars Constants

keepn

KeepN is a C++ templated header only library to keep the best or worst N of something.

kinetic-multisite-binding

Analytical solutions to 1:many binding events are only derivable up to 1:3. A kinetic treatment removes this limitation

lagrange-binding-systems

Solving binding systems with lagrange multipliers

mandelbrot_gmp

Toy arbitrary precision Mandelbrot generator and double precision Buddhabrot generator

mathematicaequationtopython

A python program to parse lists of Mathematica CForm equations and produce python functions

microdialysis

Tools for simulation of microdialysis experiments

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

mumol

Format for highly compressed small molecules. Highly efficient encoding for SDF files.

nuclearsizecheminformatics

Cheminformatics analysis of targets hit in the Rizzotto et.al. Nuclear size paper

pains_filter

pbsec

Python code for running simple plate-based size exclusion (pbSEC) simulations

permutationtest

Python implementation of permutation testing

phenotypic_metrics

Exploration of phenotypic metrics

protein_ligand_promiscuity

Suite of tools for upcoming publication looking at shared ligands between proteins

pulse

Phage Library Sequence Evaluation, a tool to analyse protein sequence coverage of phage display libraries

pyautogui

A cross-platform GUI automation Python module for human beings. Used to programmatically control the mouse & keyboard.

pybindingcurve

Binding curve simulation and experimental data fitting for multi component protein-ligand systems

rdkit

The official sources for the RDKit library

rdkonf

High quality small molecule conformer generator using RDKit and the method outlined by Ebejer et. al. J.Chem.Inf.Model 2012

similaritylab

SimilarityLab; a website for running molecular similarity and target prediction.

smi2svg

Useful site to help visualise molecules and their properties

ssknn

Header only C++ K-Nearest Neighbours

stevenshave.github.io

Steven Shave academic website

stockpredictionai

In this noteboook I will create a complete process for predicting stock price movements. Follow along and we will achieve some pretty good results. For that purpose we will use a Generative Adversarial Network (GAN) with LSTM, a type of Recurrent Neural Network, as generator, and a Convolutional Neural Network, CNN, as a discriminator. We use LSTM for the obvious reason that we are trying to predict time series data. Why we use GAN and specifically CNN as a discriminator? That is a good question: there are special sections on that later.

usrcat

USRCAT - Ultrafast Shape Recognition with Credo Atom Types