| MDAnalysis/mdanalysis |
1,154 |
|
45 |
111 |
about 2 years ago |
48 |
December 02, 2023 |
453 |
other |
Python |
| MDAnalysis is a Python library to analyze molecular dynamics simulations. |
| jewettaij/moltemplate |
186 |
|
0 |
0 |
almost 3 years ago |
119 |
January 15, 2023 |
7 |
mit |
Python |
| A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies |
| mosdef-hub/foyer |
105 |
|
0 |
2 |
over 2 years ago |
13 |
September 14, 2022 |
65 |
mit |
Python |
| A package for atom-typing as well as applying and disseminating forcefields |
| Marcello-Sega/pytim |
68 |
|
0 |
1 |
over 2 years ago |
18 |
January 23, 2022 |
28 |
gpl-3.0 |
Python |
| a python package for the interfacial analysis of molecular simulations |
| txie-93/gdynet |
47 |
|
0 |
0 |
over 4 years ago |
0 |
|
1 |
mit |
Jupyter Notebook |
| Unsupervised learning of atomic scale dynamics from molecular dynamics. |
| aiqm/aimnet |
31 |
|
0 |
0 |
over 6 years ago |
0 |
|
3 |
mit |
Python |
| Atoms In Molecules Neural Network Potential |
| HITS-MBM/gromacs-fda |
22 |
|
0 |
0 |
almost 3 years ago |
0 |
|
3 |
other |
C++ |
| Force Distribution Analysis (FDA) for GROMACS |
| atoms-ufrj/playmol |
13 |
|
0 |
0 |
about 3 years ago |
0 |
|
1 |
gpl-3.0 |
Fortran |
| Playmol is a(nother) software for building molecular models |
| wesbarnett/lennardjones |
8 |
|
0 |
0 |
almost 10 years ago |
0 |
|
0 |
gpl-2.0 |
C++ |
| Lennard Jones Molecular Dynamics in C++ |
| wesbarnett/dcdfort |
5 |
|
0 |
0 |
over 5 years ago |
0 |
|
0 |
gpl-2.0 |
Fortran |
| Modern Fortran toolkit for reading in and analyzing DCD simulation trajectories output from LAMMPS |
