Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.
☆13May 13, 2024Updated last year
Alternatives and similar repositories for stringmethod
Users that are interested in stringmethod are comparing it to the libraries listed below
Sorting:
- 基于python的PLUMED的可视化界面开发☆12Jan 8, 2025Updated last year
- A simple academic poster template using pptx, for NeurIPS/ICML/ICCV.☆16Aug 1, 2025Updated 7 months ago
- ☆10Apr 3, 2023Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated last year
- Python implementation of the 1D Total Variation Denoising algorithm A Direct Algorithm for 1D Total Variation Denoising (Sign. Proc. Lett…☆12Oct 17, 2025Updated 5 months ago
- ☆11Jun 29, 2022Updated 3 years ago
- A userscript to insert citations from Zotero into ShareLaTeX as you write☆11Feb 26, 2024Updated 2 years ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆24Feb 14, 2025Updated last year
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- Brief tutorial illustrating gprof and AMD uProf☆10Aug 8, 2024Updated last year
- Examples from performance tuning workshop☆11Aug 8, 2024Updated last year
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆51Oct 21, 2025Updated 5 months ago
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Nov 25, 2025Updated 3 months ago
- Worked examples☆15Sep 4, 2018Updated 7 years ago
- Benchopt benchmark for Lasso☆14Jul 22, 2025Updated 7 months ago
- ☆12Aug 1, 2022Updated 3 years ago
- Code to accompany our International Conference on Robotics and Automation (ICRA) paper entitled - Using variable natural environment brai…☆14Jun 20, 2024Updated last year
- A python library for replica exchange transition interface sampling with infinite swaps☆13Mar 13, 2026Updated last week
- MCMC-based algorithm for sampling surface reconstructions☆40Mar 1, 2026Updated 2 weeks ago
- A lightweight python package for reading and writing VASP ML_AB files☆45Feb 24, 2025Updated last year
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Apr 11, 2025Updated 11 months ago
- Rethinking Metadynamics: From Bias Potentials to Probability Distributions☆14Sep 18, 2023Updated 2 years ago
- Molecular simulation toolkit☆20Sep 17, 2025Updated 6 months ago
- Linear MPC for Lane Keeping and Obstacle Avoidance on Low Curvature Roads - Paper Application☆21Oct 15, 2022Updated 3 years ago
- Python interface for the zeo++ package☆17Aug 15, 2025Updated 7 months ago
- Tool to build force field input files for molecular simulation☆191Mar 9, 2026Updated last week
- This is a collection of answers to a SM book Statistical Mechanics Theory and Molecular simulation written by Mark E. Tuckerman. Lecture…☆39May 26, 2016Updated 9 years ago
- ☆15Nov 7, 2022Updated 3 years ago
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- DeePMD-kit plugin for various graph neural network models☆53Mar 9, 2026Updated last week
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆25Apr 17, 2025Updated 11 months ago
- ☆22Mar 4, 2026Updated 2 weeks ago
- Python version of the modified Seminario method code☆17Nov 15, 2020Updated 5 years ago
- Polarisable force field for ionic liquids☆17Feb 11, 2026Updated last month
- ☆18Oct 15, 2025Updated 5 months ago
- A 22.9 million carbon atom dataset☆15Mar 7, 2023Updated 3 years ago
- Converting python files to cython files☆25Feb 12, 2019Updated 7 years ago
- A simple and robust anki note type.☆23May 5, 2025Updated 10 months ago