David Koes

@dkoes

Removing barriers to computational drug discovery one bit at a time.

University of Pittsburgh Pittsburgh

402

Followers

Following

Public Repos

Private Repos

Language Breakdown

Lines of code distribution across 27 owned repositories

95.2M Total LOC

Jupyter Notebook

86,781,213 lines

91.2%

N/A

HTML

3,820,856 lines

4.0%

N/A

C++

1,831,574 lines

1.9%

N/A

JavaScript

965,346 lines

1.0%

N/A

Python

720,522 lines

0.8%

N/A

Other

1,050,165 lines

1.1%

N/A

I-Shaped Developer

I-shaped

Specialist — deep expertise in Jupyter Notebook

Jupyter Notebook

HTML

C++

JavaScript

Python

Collaboration Network

Global Impact visualization

LIVE

0 active collaborators

Repos

PRs

Growth

+18%

Top Collaborators

No collaborator data yet.

Coding Streak

Contribution activity over the past year

4 days

276

Contributions

123

Commits

Pull Requests

Jun Jul Aug Sep Oct Nov Dec Jan Feb Mar Apr May Jun

Based on GitHub activity

Less

Followers 402

mlpoiuhbn

@mlpoiuhbn

Shabir Ahmad

@Shabirahmad427

alanlpf

@freeenergylab

VAMSI998927

@VAMSI998927

Abraham Trueba

@crisprking

View All

Following

7 total

Rocco Meli

@RMeli

eflynn8

@eflynn8

Ian Dunn

@Dunni3

Ali Sinan Saglam

@ASinanSaglam

Phil Wang

@lucidrains

View All Network

Synced via GitHub

Top Repositories

rdkit-scripts

A collection of cheminformatics scripts that use rdkit

73 34

Python

qsar-tools

Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data

62 30

Python

md-scripts

A collections of scripts for working molecular dynamics simulations

47 20

Python

pharmit

Open-source online virtual screening tools for large databases

44 4

HTML

show_contacts

PyMOL Plugin for displaying polar contacts

Open-Source-Molecular-Modelling

NMR Chemical Shifts from Molecular Dynamics Simulation

15 5

Jupyter Notebook

slackfix

Hacks to make slack more usable

12 1

JavaScript

Open Source Impact

Contributions to external projects

84 merged PRs

OpenSourceMolecularModeling/OpenSourceMolecularModeling.github.io

117

gnina/libmolgrid

156

eflynn8/pharmacophore-diffusion

gnina/OMTRA

Contributed to 7 repositories