helpscott / Plumed_visualizationLinks
基于python的PLUMED的可视化界面开发
☆12Updated last year
Alternatives and similar repositories for Plumed_visualization
Users that are interested in Plumed_visualization are comparing it to the libraries listed below
Sorting:
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆50Updated 2 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆39Updated 3 weeks ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆31Updated this week
- A GUI program for plotting Minimal energy path on potential energy surface.☆40Updated 4 years ago
- LASP python library including scripts and auto-NNtrain workflow☆20Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
- ASE interface for fully constant potential with VASP☆42Updated last year
- Deep Potential Evolution Accelerator☆20Updated last week
- ☆31Updated 2 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆65Updated 3 weeks ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆71Updated 2 months ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆28Updated 5 months ago
- ☆28Updated 2 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆49Updated 7 months ago
- ☆30Updated 3 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆60Updated 3 months ago
- ☆16Updated 3 months ago
- ☆73Updated 9 months ago
- ☆66Updated 4 years ago
- Tutorials related to GPUMD☆74Updated 2 weeks ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Updated 2 months ago
- ☆24Updated last year
- ☆52Updated 3 years ago
- ☆60Updated last year
- an automatic reaction network generator for reactive molecular dynamics simulation☆95Updated 3 weeks ago
- ABACUS开源软件的中文用户文档☆37Updated last week
- A toolkit featured artificial intelligence × ab initio for computational chemistry research.☆85Updated last week
- ☆32Updated 4 months ago
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆41Updated 3 weeks ago