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pocket2mol

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

point-cloud

polypharmacy-ddi-synergy-survey

Readings for "A Unified View of Relational Deep Learning for Polypharmacy Side Effect, Combination Therapy, and Drug-Drug Interaction Prediction."

potency-envelope

practicaldeeplearningtutorials

深度学习算法实战

predictionio

PredictionIO, a machine learning server for developers and ML engineers. Built on Apache Spark, HBase and Spray.

presentations

Slides from my talks

privileged_residues

probability

Probabilistic Methods for TensorFlow

profold

A protein 3D structure prediction application

prolif

Interaction Fingerprints for protein-ligand complexes and more

pronto

A Python frontend to Ontologies.

protac-design

UROP Project @ Coley Group

protackb

python codes and data

protein-vae

protein-vae-1

Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies

protein_seq_des

Code for our paper "Protein sequence design with a learned potential"

proteinlm

Protein Language Model

proteogan

protocols_molecular_biology_2021

prottrans

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

ps-lite

A lightweight parameter server interface

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

pssmgen

Generates consistent PSSM and/or PDB files for protein-protein complexes

pubchempy

Convertion between SMILES and names

publication_procedures

Python scripts/notebooks for ECRL's publications

py2so

编译py为so文件，更好的隐藏源码

py4chemoinformatics

Python for chemoinformatics

pybind11

Seamless operability between C++11 and Python

pybiomed

machine learning, molecular descriptor