Files associated with Hall group publications
☆11Aug 1, 2025Updated 7 months ago
Alternatives and similar repositories for published-work
Users that are interested in published-work are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- A repository providing jupyter notebooks and simulation inputs that accompany the mini course Hands-on tutorials: Advanced sampling metho…☆22Sep 26, 2024Updated last year
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆20Feb 14, 2024Updated 2 years ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Aug 24, 2016Updated 9 years ago
- Auto buying tickets from websites, such as THSRC.☆23Jan 23, 2024Updated 2 years ago
- Python implementation of the umbrella integration method for potential of mean force (PMF) calculations☆17Feb 4, 2019Updated 7 years ago
- ☆18Jul 14, 2022Updated 3 years ago
- Mirror of http://zeoplusplus.org/☆13May 3, 2018Updated 7 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆39Nov 11, 2021Updated 4 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆44Nov 12, 2021Updated 4 years ago
- Solutions to All of Statistics, a textbook authored by Larry Wasserman. I wrote the solutions as a self-studying method, thus I cannot gu…☆23Dec 1, 2021Updated 4 years ago
- Code and lecture materials for the "Data Science for Physicists" short course held at the 2025 Joint March and April Meetings☆21Mar 31, 2025Updated 11 months ago
- Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to b…☆32Sep 11, 2025Updated 6 months ago
- PPPL Summer School 2019☆20May 8, 2024Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆18Sep 18, 2022Updated 3 years ago
- A graphical tool to explore ZdPlaskin Results☆16May 19, 2022Updated 3 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2024. The page is hosted by the …☆23May 22, 2024Updated last year
- A technical guide for pairing CJK and Latin fonts☆12Oct 5, 2021Updated 4 years ago
- An overview of literature that discusses the use of machine learning for atomistic simulations☆44Apr 11, 2023Updated 2 years ago
- Working efficiently with datasets where observations have associated uncertainties.☆18Jun 6, 2023Updated 2 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- 北京大学物理学院课程作业模板☆11Sep 30, 2022Updated 3 years ago
- 影视APP去广告 可以看美剧爱奇艺(反编译学习 包含所有工具和详细步骤)☆12Mar 26, 2020Updated 5 years ago
- LaTeX package provides for input slides on note pages quickly for making annotations.☆14Mar 2, 2026Updated 3 weeks ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆12Nov 5, 2019Updated 6 years ago
- A Fortran BLAS library implemented as a free-format module.☆12Jul 11, 2025Updated 8 months ago
- DFT control☆12Sep 14, 2023Updated 2 years ago
- Statistical mechanics models such as random cluster models, random growth models and related processes.☆12Jan 24, 2025Updated last year
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago
- MCP server plugin for x64dbg debugger - enables AI agents and external tools to control debugging via JSON-RPC 2.0 over HTTP/SSE;Develop …☆40Mar 9, 2026Updated 2 weeks ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆15Aug 15, 2025Updated 7 months ago
- A library for converting molecular topologies☆13May 20, 2015Updated 10 years ago
- FEniCS code for the fracture model of Kumar et al. JMPS 2020: https://www.sciencedirect.com/science/article/pii/S0022509620302623☆15Nov 25, 2021Updated 4 years ago
- Awesome list about AI4Polymer☆18Sep 23, 2025Updated 6 months ago
- Code for reviewers☆12Oct 8, 2024Updated last year
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆41Oct 3, 2019Updated 6 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Apr 9, 2021Updated 4 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago