Esben Jannik Bjerrum (@EBjerrum)
github

EBjerrum

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  • Stars
    star
    341
  • Global Rank 80,279 (Top 3 %)
  • Followers 186
  • Following 11
  • Registered over 9 years ago
  • Most used languages
    Jupyter Notebook
         50.0 %
    Python
         50.0 %
  • Location πŸ‡ΈπŸ‡ͺ Sweden
  • Country Total Rank 876
  • Country Ranking
    Jupyter Notebook
         14
    Python
         124

Top repositories

1

SMILES-enumeration

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks
Python
172
star
2

rdeditor

Simple RDKit molecule editor GUI using PySide
Python
61
star
3

Deep-Chemometrics

Using deep learning approaches and convolutional neural networks (CNN) for spectroscopical data (deep chemometrics)
Jupyter Notebook
59
star
4

molvecgen

Molecular vectorization and batch generation
Jupyter Notebook
44
star
5

scikit-mol

scikit-learn classes for molecular vectorization using RDKit
Jupyter Notebook
31
star
6

pICalculax

Isoelectric point (pI) predictor for chemically modified peptides and proteins.
Python
7
star
7

heteroencoders

Molecular Heteroencoders example code
Jupyter Notebook
4
star
8

SDFixer

Browse SDFiles for unsanitizable molecules for manual intervention and fix
Python
2
star
9

RDKit_Jupyter_Notebooks

RDKit Jupyter Notebooks
Jupyter Notebook
1
star
10

DeepIEP

DeepIEP: Isoelectric Point (IEP/pI) of peptides using Recurrent Neural Networks (RNNs)
Python
1
star