Francois Berenger

Chemoinformatics postdoc researcher

Ecosystems: OCaml, Python, C++, R, C, Shell, Windows, Linux, macOS

Projects

rdkit

The official sources for the RDKit library

HTML - Released: 12 May 2013 - 2,614

FASMIFRA

Molecular Generation by Fast Assembly of SMILES Fragments

OCaml - Released: 08 Jul 2021 - 50

molenc

MolEnc: a molecular encoder using rdkit and OCaml.

OCaml - Released: 13 Sep 2018 - 19

PAR

Execute shell commands in a parallel and/or distributed way

Python - Released: 13 Jul 2012 - 2

parany

Parallelize _anything_ //

OCaml - Released: 12 Jun 2017 - 51

linwrap

Wrapper on top of liblinear-tools

OCaml - Released: 09 Sep 2019 - 6

dolog

A dumb OCaml logger

OCaml - Released: 22 Mar 2013 - 38

bisec-tree

Bisector tree implementation in OCaml

OCaml - Released: 17 Jan 2018 - 24

daft

DAFT Allows File Transfers

OCaml - Released: 13 Jul 2012 - 24

minicli

Minimalist OCaml library for command line parsing

OCaml - Released: 15 Aug 2017 - 31

ACPC

Chemoinformatics tool for ligand-based virtual screening

OCaml - Released: 09 Jan 2014 - 18

smi2sdf3d

3D diverse conformers generation using rdkit

Python - Released: 13 Jun 2017 - 19

MMO

Molecular Mechanics in OCaml

OCaml - Released: 22 Feb 2024 - 1

vp-tree

Vantage point tree implementation in OCaml

OCaml - Released: 22 Mar 2017 - 19

cpmlib

Classification and Regression Performance Metrics library

OCaml - Released: 31 May 2017 - 11

orf

OCaml Random Forests

OCaml - Released: 08 Jun 2021 - 8

interval-tree

tree for float intervals

OCaml - Released: 15 Feb 2012 - 12

dimorphite_dl

Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/

Python - Released: 26 Mar 2019 - 12

dokeysto

The dumb OCaml key-value store

OCaml - Released: 15 Jun 2018 - 11

UNIX-fun

Some configuration files to make life under UNIX fun

Shell - Released: 08 Mar 2012 - 6

bytearray

Efficient OCaml marshaling to and from bigarrays

OCaml - Released: 26 Jul 2019 - 9

EDTSurf

mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/

C++ - Released: 16 Oct 2017 - 5

ocaml-ancient

trial at reviving the ancient library

C - Released: 13 Dec 2018 - 7

vector3

module for 3D vectors (implemented as a record of x, y and z floats)

OCaml - Released: 13 May 2013 - 6

orxgboost

Gradient boosting for OCaml using the R xgboost package under the carpet

OCaml - Released: 12 Mar 2018 - 9