Matteo Ferla (@matteoferla)
github

matteoferla

Twitter logo Share LinkedIn logo Share Facebook logo Share

Top repositories

1

Fragmenstein

Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
Python
172
star
2

DnD-battler

A 5e D&D encounter simulator written for my own amusement to test some hypotheses.
Python
76
star
3

molecular_rectifier

Given an RDKit molecule that does not sanitise, correct it until it does
Python
36
star
4

Python_SmallWorld_API

An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
Python
32
star
5

MichelaNGLo-app

A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site
Mako
25
star
6

rdkit_to_params

Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
Python
22
star
7

pyrosetta-help

Some scripts that I keep using over and over.
Python
17
star
8

Fragment-hit-follow-up-chemistry

A collection of notebooks and scripts for the prediction of follow-up compounds in
Jupyter Notebook
10
star
9

Display-of-preset-Rosetta-NCAAs

What exactly are the non-canonical amino acids in the Rosetta database folder?
Python
9
star
10

Snippets-for-ColabFold

A collections of snippets for working with ColabFold
Python
8
star
11

pyfurby

Raspberry Pi Zero W controlled Furby
Python
8
star
12

Christmas_tree_protein

A Christmas tree protein
6
star
13

Pyrosetta-documentarian

A class to help reverse engineer what what a Pyrosetta class does...
Python
6
star
14

JSME_notebook

JSME molecular editor in a Jupyter or Colab notebook in a hacky way
Python
4
star
15

DTC-compchem-practical

Compchem practical for the University of Oxford Doctoral Training Centre
Jupyter Notebook
4
star
16

PLIP-PyRosetta-hotspots-test

A proof-of-principle of using PLIP and PyRosetta as a substitute to Hotspot API and CCDC Gold
Python
4
star
17

DnD-encounter-simulator-site

The site for the DnD encounter similator
Python
4
star
18

gist-import

GitHub Gist are handy snippets, which are meant to be copy-pasted into one's code... but what if you could import them?
Python
3
star
19

protein_fuser

A py3 script to fuse structures together
Python
3
star
20

DirEvo_tools

The new and improved server combining Pedel, Mutanalyst and much more
Mako
3
star
21

AtomicRenamer

Given a molecule label the atoms (names/labels) according to a reference ligand from the PDB
Python
3
star
22

Michelanglo-and-Venus

Topmost repository for the Michelanglo webapp, including the Venus functionality.
Shell
3
star
23

validation_of_venus_ddG

Tests to assess the accuracy of Venus ddG calculations
Python
3
star
24

And-the-protein-ligand-went-boom

A collection of various computational chemistry/biochemistry fails
3
star
25

mutant_calculator

Now live on www.mutanalyst.com
JavaScript
2
star
26

Replace-ligand

Example of how to replace a ligand with a similar in Rdkit and Pyrosetta
Python
2
star
27

MichelaNGLo-api

A python module to interact with MichelaษดษขสŸo programmatically
Python
2
star
28

Wikipedian-compounds

Parsing Wikipedia Chembox data for fun
2
star
29

MichelaNGLo-protein-analysis

protein module for Michelanglo and VENUS (handles the actual protein analysis)
Python
2
star
30

notebook-error-reporter

An idea on how to collect errors generated by other users using a notebook that was shared.
Python
2
star
31

tangents

Python
1
star
32

mutational_scanning

Analysis of variants generated by mutational scanning for Carlos G Acevedo-Rocha et al 2017
MATLAB
1
star
33

MED27_analysis

Analysis of variants of MED27 (no mutant data is stored here)
Python
1
star
34

Various-scripts-rosetta-pymol

scripts for Rosetta and PyMol stuff
Python
1
star
35

MichelaNGLo-human-protein-data

pickled files containing protein data for humans
1
star
36

mutagenesis

Python DNA mutagenesis model and more
Python
1
star
37

SLC38A3_analysis

SLC38A3 protein modelling
Python
1
star
38

Epistasis_Calculator

Python
1
star
39

PrettyFastaJS

Script to embed in a pretty way a fasta file in a website, such as blog
JavaScript
1
star
40

EV-D68-3C-protease

Follow-up suggestions for EV-D68 3C protease fragment-based drug-discovery campaign of ASAP consortium
Jupyter Notebook
1
star
41

PRKG2_analysis

In silico analysis of the cGMP-dependent protein kinase 2 (PRKG2 encoded)
1
star
42

MEF2C_analysis

Analysis of variants of MEF2C
Python
1
star
43

ConsurfDB-client-API

A Python3 module to requests information from the ConsurfDB server and perform several operations (_e.g._ reindexing) with grade files and PDB files ๐Ÿโ†”๏ธ๐Ÿ„
Python
1
star
44

SARS-CoV-2_CL3_covalent_docking

This is junk a junkyard for code salvaging. Please see Fragmenstein instead
Python
1
star
45

Arthorian-Quest

An experiment in using Arthor (arthor.docking.org) by NextMove and filtering the results with Fragmenstein
Python
1
star
46

Poised-Fragment-library-design

The design of a fragment library that is sociably poised for the XChem in house synthesis robot
Jupyter Notebook
1
star
47

crysalin

Engineering crysalin lattice
Python
1
star