☆17Jun 12, 2022Updated 3 years ago
Alternatives and similar repositories for Atif
Users that are interested in Atif are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A software package to identify and locate knots in polymers☆14Nov 20, 2022Updated 3 years ago
- Statistical mechanics models such as random cluster models, random growth models and related processes.☆12Jan 24, 2025Updated last year
- ☆13Mar 5, 2024Updated 2 years ago
- Examples for pscf (polymer self-consistent field theory)☆10Nov 12, 2021Updated 4 years ago
- ☆49Jul 16, 2025Updated 8 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆28Jan 21, 2026Updated 2 months ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆18Nov 21, 2019Updated 6 years ago
- Introductory lectures in atomistic machine learning☆23Jul 9, 2025Updated 8 months ago
- Open-Source Software for the Multiscale Modeling of Combined Antisolvent and Cooling Crystallization in Turbulent Flow Using OpenFOAM☆11Nov 4, 2019Updated 6 years ago
- Kinetic Monte Carlo simulator for polymerization reactions☆12Dec 30, 2016Updated 9 years ago
- A software for mapping energy landscape with a variety of methods, using classical potentials. Based on the LAMMPS MD package.☆11Jan 29, 2021Updated 5 years ago
- helPME: an efficient library for particle mesh Ewald☆31Feb 28, 2022Updated 4 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆62Mar 11, 2022Updated 4 years ago
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Oct 29, 2022Updated 3 years ago
- This is a collection of answers to a SM book written by R. K. Pathria & Paul D. Beale. Lecture notes can be added too.☆37Jan 20, 2019Updated 7 years ago
- ☆27Jan 20, 2022Updated 4 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Jul 15, 2022Updated 3 years ago
- ☆14Jul 7, 2025Updated 8 months ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- A set of tools to analyze oxDNA/oxRNA simulations of DNA/RNA☆20Jul 7, 2022Updated 3 years ago
- Metropolis Monte Carlo particle simulations for statistical mechanics in Python and Cython. Simulates Lennard-Jones particles using a Mar…☆12Jun 2, 2015Updated 10 years ago
- ☆13Feb 4, 2025Updated last year
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44Mar 6, 2026Updated 2 weeks ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 4 years ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 3 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Aug 16, 2019Updated 6 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆34Oct 24, 2025Updated 5 months ago
- Utilities for molecular volume calculation☆11Jun 4, 2018Updated 7 years ago
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- A program for the conformational search in flexible acyclic molecules☆11Jul 12, 2022Updated 3 years ago
- ☆11Jan 6, 2016Updated 10 years ago
- Semi-supervised Junction Tree Variational Autoencoder for jointly trained property prediction and molecule structure generation. (AAAI 23…☆12Jan 14, 2023Updated 3 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆41Updated this week
- Deep Supervised Graph Partitioning Model☆14Aug 3, 2021Updated 4 years ago
- An efficient, multithreaded weighted histogram analysis (WHAM) implementation for the post-processing of umbrella MD simulations.☆28Apr 1, 2024Updated last year
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated 11 months ago
- ☆28Aug 21, 2023Updated 2 years ago