Rocco Meli

@RMeli

Research Software Engineer @eth-cscs | Core Developer @MDAnalysis | Editor @openjournals

@eth-cscs Lugano, Switzerland

205

Followers

341

Following

Public Repos

Private Repos

Language Breakdown

Lines of code distribution across 42 owned repositories

66.8M Total LOC

Jupyter Notebook

63,622,818 lines

95.2%

N/A

Python

2,007,688 lines

3.0%

N/A

C++

401,576 lines

0.6%

N/A

Fortran

302,205 lines

0.5%

N/A

Shell

237,637 lines

0.4%

N/A

Other

265,977 lines

0.4%

N/A

I-Shaped Developer

I-shaped

Specialist — deep expertise in Jupyter Notebook

Jupyter Notebook

Python

C++

Fortran

Shell

Collaboration Network

Global Impact visualization

LIVE

0 active collaborators

Repos

231

PRs

Growth

+18%

Top Collaborators

No collaborator data yet.

Coding Streak

Contribution activity over the past year

4 days

980

Contributions

378

Commits

154

Pull Requests

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

Based on GitHub activity

Less

Followers 205

Eric Boittier

@EricBoittier

Estefania Barreto-Ojeda

@ojeda-e

James

@JamesOBrien2

Makoto-88

@Makoto-88

Garrettwx

@garrettwx

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Following

341 total

Henrique Bucher

@HFTrader

wcwitt

@wcwitt

Miguel A. Caro

@mcaroba

Ralph Castain

@rhc54

T-Kozhukhov

@T-Kozhukhov

View All Network

Synced via GitHub

Top Repositories

spyrmsd

📐 Symmetry-corrected RMSD in Python

118 11

Python

gnina-torch

🔥 PyTorch implementation of GNINA scoring function for molecular docking

75 10

Python

Hartree-Fock

Solution of Hartree-Fock equations within Pople's STO-3G basis set

38 17

Fortran

irc

Transfrormation between Cartesian coordinates and redundant internal coordinates

26 9

C++

aescore

Learning Protein-Ligand Affinity with Atomic Environment Vectors

7 14

Python

gsoc19

☀️ CNN Scoring for Flexible Docking - Google Summer of Code 2019 ☀️

5 5

Jupyter Notebook

code-snippets

Code snippets for different tasks and projects

PDBbind Docking

Small toolbox to manipulate Gaussian Cube files

3 0

C++

spyrmsdkit

MDAnalysis Kit (MDAKit) for SPyRMSD

2 1

Python

Open Source Impact

Contributions to external projects

815 merged PRs

MDAnalysis/GridDataFormats

MDAnalysis/MDAnalysis.github.io

MDAnalysis/mdanalysis

1595

electronic-structure/SIRIUS

165

conda-forge/mdanalysistests-feedstock

cp2k/cp2k

1153

conda-forge/py3dmol-feedstock

actions/first-interaction

876

MDAnalysis/UserGuide

eth-cscs/DLA-Future

Contributed to 35 repositories