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3_sem

agama

Action-based galaxy modeling framework

apbs

Software for biomolecular electrostatics and solvation calculations

bthesis

Bachelor thesis

errorestimationiogt

code and theory on estimating the error of a predictor given a series of its predictions

fokin.aa

gcm-3d

GCM engine for 3d problems

geo

gromacswrapper

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x, all with the same Python code) into python scripts.

infa_2019_slepnev

infa_2019_surmeeva

install_lammps

issue-reporting

Reference Open311 API server implementation

izing

An Ising model and its FFS (R. J. Allen, P. B. Warren, and P. R. ten Wolde, Phys. Rev. Lett. 94, 018104, 2005) analysis

laba-3

lammps

Public development project of the LAMMPS MD software package

lammps_error

A repo to upload files for the lammps question

lammps_questions

Minimal examples for LAMMPS questions

masif_2021

compute surface features of a near-linear polymer

masif_my

fork-like version of masif repo

mdprot

A set of Matlab functions to analyze protein structures and molecular dynamics (MD) simulations of proteins

mdtraj

An open library for the analysis of molecular dynamics trajectories

molecules

Molecular dynamics package

not-really-a-cs_at-mipt

two_lines_iogt

distinguish between 2lines given the error estimations.

van_der_waals_mc

A simple MC model of a a val-der-waals gas

water

water_md

lammps water simulation

workshop-july-2023

Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023

wss2020project

mini package for handling PDB files in Wolfram Language