|
Julia |
7 |
A set of tools for analyzing molecular dynamics simulations |
Nov 24, 2023 |
|
Julia |
73 |
High level functions for analyzing the output of simulations |
Mar 13, 2023 |
|
R |
9 |
Functions for planning and analyzing factorial experiments in R |
Oct 30, 2021 |
|
Jupyter Notebook |
7 |
Julia codes for molecular simulations |
Nov 12, 2018 |
|
Python |
114 |
Conversion tool for molecular simulations |
Aug 18, 2022 |
|
Julia |
3 |
Python bindings for molecular simulations |
Feb 10, 2022 |
|
Julia |
23 |
Julia toolbox for molecular simulations |
Jan 28, 2023 |
|
Jupyter Notebook |
2 |
Repository for experiments with scattering transforms |
Nov 19, 2022 |
|
Python |
2 |
Data analysis for solution scattering experiments. |
Jan 27, 2020 |
|
C++ |
14 |
Sire Molecular Simulations Framework |
Apr 25, 2023 |
|
C++ |
79 |
Sire Molecular Simulations Framework |
Jul 24, 2022 |
|
Python |
2 |
tools for scattering phase functions |
May 28, 2023 |
|
Matlab |
3 |
Tools for analyzing AFiNeS simulations |
Apr 23, 2018 |
|
Python |
9 |
model builder for molecular dynamics simulations |
Apr 20, 2023 |
|
Rich Text Format |
189 |
Cloud-based molecular simulations for everyone |
Aug 23, 2022 |
|
Python |
54 |
Python Library for Automating Molecular Simulations |
Apr 06, 2023 |
|
Python |
32 |
Physical validation of molecular simulations |
Aug 16, 2022 |
|
Python |
53 |
Automatically differentiable atomistic potentials for molecular simulations |
Dec 19, 2021 |
|
Fortran |
116 |
Packmol - Initial configurations for molecular dynamics simulations |
Nov 26, 2022 |
|
Python |
25 |
Neural relational inference for molecular dynamics simulations |
May 04, 2023 |
|
TeX |
22 |
Enhanced sampling methods for molecular dynamics simulations |
May 24, 2023 |
|
Python |
2 |
Scripts for analyzing simulations of kinases! |
Dec 21, 2021 |
|
Python |
2 |
code for representing the geometry of scattering experiments |
Feb 09, 2021 |
|
C++ |
3 |
Constant Chemical Potential Molecular Dynamics Simulations |
Jan 27, 2023 |
|
Python |
2 |
Molecular dynamics simulations of ultracold plasmas. |
Mar 28, 2022 |
|
Python |
17 |
toolkit for analyzing genome editing experiments |
Feb 28, 2023 |
|
Jupyter Notebook |
3 |
Quasi-anharmonic analysis of molecular dynamics simulations |
Jun 02, 2021 |
|
Tcl |
2 |
Code and data for Meyer et al, Analyzing Machupo virus-receptor binding by molecular dynamics simulations, … |
May 14, 2021 |
|
Julia |
3 |
Julia implementation of constraint algorithms for Molecular Dynamics simulations. |
Jun 05, 2022 |
|
C |
4 |
A Python library for ab-initio molecular dynamics simulations |
Oct 05, 2022 |
|
None |
2 |
File formats for free energy calculations, molecular simulations, etc. |
Oct 27, 2016 |
|
Python |
5 |
setup/analysis of molecular dynamics simulations for membrane proteins |
Jan 26, 2024 |
|
R |
2 |
Some scripts for processing and analyzing molecular sequencing data |
May 26, 2017 |
|
R |
24 |
functions for analyzing phyloseq data |
Mar 07, 2023 |
|
Python |
3 |
A method for analyzing scATAC-seq experiments. |
Jun 28, 2023 |
|
TeX |
12 |
Automatic detection of equilibrated regions of molecular simulations |
Jul 26, 2022 |
|
Python |
26 |
PyRod - Tracing water molecules in molecular dynamics simulations |
Feb 02, 2022 |
|
MATLAB |
2 |
MATLAB Functions for calculating the Thomson scattering cross-section |
May 17, 2023 |
|
Python |
56 |
a python package for the interfacial analysis of molecular simulations |
Oct 28, 2022 |
|
Python |
69 |
Quickly generate, start and analyze benchmarks for molecular dynamics simulations. |
Apr 11, 2023 |
|
Python |
4 |
Python tools for running and analyzing simulations using Mumax3 |
Feb 09, 2023 |
|
Julia |
4 |
An interface for generating simple crystal structures for molecular dynamics simulations. |
Apr 26, 2023 |
|
Python |
3 |
Creating a calculator for common molecular biology lab experiments. |
Nov 22, 2021 |
|
Jupyter Notebook |
7 |
tools for creating and analyzing parameter perturbation experiments |
Jul 04, 2022 |
|
Jupyter Notebook |
3 |
Core tools for running experiments and analyzing data |
Feb 27, 2023 |
|
Jupyter Notebook |
2 |
Using Julia language to perform atomic and molecular simulations |
Oct 01, 2022 |
|
Python |
16 |
Perform high-throughput polymer molecular dynamics simulations with ease |
Apr 18, 2023 |
|
Python |
2 |
Identify electronic allostery in ab-initio molecular dynamics simulations. |
Jan 22, 2024 |
|
Python |
5 |
Python code to run Supervised Molecular Dynamics (SuMD) simulations |
Jun 24, 2023 |
|
TypeScript |
2 |
Utility functions for analyzing option combos |
Jan 08, 2020 |