shunsunsun Goto Github PK

orthogonal-transformation

os_course_info

os course info

oscar4

OSCAR (Open Source Chemistry Analysis Routines) is an open source extensible system for the automated annotation of chemistry in scientific articles.

otter-knowledge

Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from different sources. This improves results on TDC drug target binding affinity prediction benchmarks.

paddle

PArallel Distributed Deep LEarning

paddlespeech

A Speech Toolkit based on PaddlePaddle.

padelpy

A Python wrapper for PaDEL-Descriptor software

pagmo2

A C++ platform to perform parallel computations of optimisation tasks (global and local) via the asynchronous generalized island model.

papers-for-molecular-design-using-dl

List of molecular design using Generative AI and Deep Learning

papyrus-scripts

parameter_server

moved to https://github.com/dmlc/ps-lite

parameterimportance

Parameter Importance Analysis Tool

part_ii

Computational exercises as coursework for the Part II Physics Tripos at the University of Cambridge

part_iii_project

Python scripts used for my Part III Project

pasapipeline

PASA software

patent-reaction-extraction

Text mining of chemical reactions

pathway2vec

Leveraging Heterogeneous Network Embedding for Metabolic Pathway Prediction

pbbioconda

PacBio Secondary Analysis Tools on Bioconda

pcetk

pDynamo-based toolkit for protonation state calculations in proteins

pcmol

Multi-target de novo molecular generator conditioned on AlphaFold latent embeddings

pconpy

a python module for generating protein contact maps and distance maps

pdbfixer

PDBFixer fixes problems in PDB files

pdbtools

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

pdynamo-mirror

Mirror of pDynamo computational chemistry library

penncnv

Copy number vaiation detection from SNP arrays

pepevolve

Evolutionary algorithm to generate offspring of one or morph two (peptide) sequences into each other

peptide_design

Tools that enable de novo design of protein-binding peptides

peptidebuilder

A simple Python library to generate model peptides

peptidedesignga

peptides.py

Physicochemical properties, indices and descriptors for amino-acid sequences.