Andrew Tarzia (@andrewtarzia)
github

andrewtarzia

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  • Stars
    star
    54
  • Global Rank 323,221 (Top 12 %)
  • Followers 50
  • Following 40
  • Registered over 8 years ago
  • Most used languages
    Python
         72.7 %
    Jupyter Notebook
         18.2 %
    TeX
         9.1 %
  • Location 🇮🇹 Italy
  • Country Total Rank 2,903
  • Country Ranking
    TeX
         69
    Jupyter Notebook
         587
    Python
         776

Top repositories

1

mol-ellipsize

Molecular size calculation based on ellipsoid fitting over N conformers
TeX
13
star
2

MCHammer

Implementation of cheap Monte Carlo optimisation of bonds in molecules
Python
9
star
3

PoreMapper

cavity shape and size mapping by growing a guest inside a host
Python
7
star
4

cage_datasets

collection of cage structures extracted from the CSD and analyzed
Python
5
star
5

sca_cage_assembler

Python
4
star
6

stk-examples

Some example usages of stk (and stko, mchammer)
Jupyter Notebook
4
star
7

bbprepared

Prepare your building blocks for stk construction and analysis
Python
4
star
8

SpinDry

Low-cost host-guest conformer generation
Python
3
star
9

CGExplore

A general tool set for working with coarse-grained stk models
Python
1
star
10

big_unsymm

Construct and study large cages with unsymmetrical ligands
Python
1
star
11

enzyme_screen

Molecular size calculations for enzyme reaction screening in metal--organic frameworks
Jupyter Notebook
1
star