Biomolecular Dynamics (@moldyn)
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moldyn

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  • Stars
    star
    112
  • Global Org. Rank 54,913 (Top 18 %)
  • Registered about 6 years ago
  • Most used languages
    Python
         50.0 %
    C++
         20.0 %
    HiveQL     10.0 %
    Shell
         10.0 %
    C
         10.0 %
  • Location πŸ‡©πŸ‡ͺ Germany
  • Country Total Rank 12,151
  • Country Ranking
    HiveQL     1
    C++
         1,869
    Python
         2,510
    C
         4,192
    Shell
         7,344

Top repositories

1

MoSAIC

Correlation-based feature selection of Molecular Dynamics simulations
Python
25
star
2

Clustering

Robust and stable clustering of molecular dynamics simulation trajectories.
C++
16
star
3

dcTMD

Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.
Python
14
star
4

NorMI

Generalized Kraskov Estimator for Normalized Mutual Information
Python
9
star
5

MSMPathfinder

Finding pathways from an Markov State Model
C++
9
star
6

HP35

Selecting Features for Markov Modeling: A Case Study on HP35
HiveQL
8
star
7

msmhelper

Helper function for Markov State Models
Python
8
star
8

HP35-DESRES

DESRES trajectory of wild type HP-35 at 360K
5
star
9

Data-Driven-Langevin

Program to run the data driven Langevin equation as described in Schaudinnus et al., Phys. Rev. Lett. 115, 050602 (2015) or Rzepiela et al. J. Chem. Phys. 141, 241102 (2014). The basic publication is Hegger and Stock, J. Chem. Phys. 130, 034106 (2009) .
C
2
star
10

ramacolor

The ramacolor script produce plots as proposed in Sittel et al., J. Chem. Theory Comput 12, 2426 (2016)
Python
1
star
11

HP35-Benchmark

Benchmarking dimensionality reduction methods and clustering on HP35-DESRES
Shell
1
star