sphereman / ChemBlender_1_0Links
Professional Visualization of Molecules and Structures for Scientists and Artiests.
☆16Updated 8 months ago
Alternatives and similar repositories for ChemBlender_1_0
Users that are interested in ChemBlender_1_0 are comparing it to the libraries listed below
Sorting:
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Updated 8 months ago
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- Tutorials for DeepModeling projects.☆15Updated 8 months ago
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Updated 4 years ago
- ☆19Updated 4 years ago
- ☆16Updated 3 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆30Updated 8 months ago
- zeo++ fork of the LSMO☆20Updated 2 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆43Updated last month
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Updated 5 months ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Updated 3 years ago
- ☆30Updated 3 years ago
- ☆19Updated 4 years ago
- Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics☆22Updated 3 weeks ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆14Updated 2 years ago
- [UNMAINTAINED] Lammps data file creation☆28Updated 7 years ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆44Updated last month
- ☆33Updated last year
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆37Updated 8 months ago
- eXtended Equivairant Graph Neural Network☆13Updated 4 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆24Updated last month
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆19Updated last week
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated 3 months ago
- ☆31Updated 2 months ago
- Tool for finding atomic environments in crystal structures☆22Updated 6 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆35Updated last week
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆28Updated 4 months ago
- a workflow to do constant potential thermodynamic integration in VASP☆11Updated 11 months ago