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numpy

Numpy main repository

oauthenticator

OAuth + JupyterHub Authenticator = OAuthenticator

oddt

Open Drug Discovery Toolkit

open-forcefield-group

For discussing and aggregating data for force field development

opencl.jl

OpenCL Julia bindings

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmmenergycomparisons

Comparisons of energies and forces between OpenMM and other packages

pandas-datareader

Extract data from a wide range of Internet sources into a pandas DataFrame.

parallel_ml_tutorial

Tutorial on scikit-learn and IPython for parallel machine learning

parmed

Parameter/topology editor and molecular simulator

parmed-contrib

For anything related to ParmEd but not necessary to be in the main repo

pattern_classification

A collection of tutorials and examples for solving and understanding machine learning and pattern classification tasks

pdb4amber

Using ParmEd for pdb4amber.

pdb4amber-contrib

pdb_prot_align

Align proteins to chains in PDB structures

pdz_ddg

predict ddG for PDZ domains

pharmacogenomics_prediction_pipeline_p3

pipeline

End-to-End, Real-time, Advanced Analytics Big Data Reference Pipeline using Spark, Spark SQL, Spark ML, GraphX, Spark Streaming, Kafka, NiFi, Cassandra, ElasticSearch, Redis, Tachyon, HDFS, Zeppelin, Spark-Notebook, iPython/Jupyter Notebook, Tableau. See https://github.com/fluxcapacitor/pipeline/wiki for Setup Instructions.

plumed2

Development version of plumed 2

polytop

A topology builder for polymers

prody

A Python Package for Protein Dynamics Analysis

pv

WebGL protein viewer

pygmsh

Python interface for Gmsh

pymdgx

my playground with mdgx python interface.

pymsmt

Python Metal Site Modeling Toolbox

pyrosetta_viewer3d

Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab

pysam

Pysam is a python module for reading and manipulating Samfiles. It's a lightweight wrapper of the samtools C-API. Pysam also includes an interface for tabix.

pysander

Python bindings to sander API

pysaxs

Non working code - for my backup

pythran

a claimless python to c++ converter