Suite for Analysis of Molecular Simulations
☆11Aug 28, 2025Updated 6 months ago
Alternatives and similar repositories for samos
Users that are interested in samos are comparing it to the libraries listed below
Sorting:
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- Graph neural network potential with charge transfer☆37Apr 6, 2022Updated 3 years ago
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- Analysing molecular dynamics simulations of crystalline materials using site occupations☆18Updated this week
- MOOSE Application for simulation of electrodeposition in Li-ion batteries☆20Mar 30, 2022Updated 3 years ago
- A Python package for building nonparametric force fields from machine learning☆16Feb 12, 2020Updated 6 years ago
- Deprecated - see `pair_nequip_allegro`☆44Apr 25, 2025Updated 10 months ago
- Simple, parallel, object-oriented Fortran neural network☆20Nov 11, 2018Updated 7 years ago
- Extended XYZ specification and parsers☆23Nov 1, 2025Updated 4 months ago
- Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.☆76Oct 23, 2023Updated 2 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Apr 1, 2022Updated 3 years ago
- Continual Resilient (CoRe) Optimizer for PyTorch☆11Jun 10, 2024Updated last year
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Aug 10, 2022Updated 3 years ago
- Desktop App for viewing and analyzing results generated by PV Hawk☆13Sep 20, 2022Updated 3 years ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 years ago
- This place provide different SRAM cells netlist to be simulated with HSpice tool in sub-20nm FinFET technologies.☆12Dec 31, 2020Updated 5 years ago
- Code to reproduce experiments from:☆10Dec 11, 2020Updated 5 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Feb 25, 2026Updated last week
- A C++ library for computing large scale tensor contractions.☆38Jun 26, 2018Updated 7 years ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated last year
- ☆12Feb 14, 2022Updated 4 years ago
- Use matlab to control comsol and search for best params☆14Dec 16, 2020Updated 5 years ago
- Data relevant to the article "Machine learning determination of atomic dynamics at grain boundaries" https://arxiv.org/abs/1803.01416☆11Oct 2, 2018Updated 7 years ago
- Finite-size corrections of defect energy levels involving ionic polarization☆10Oct 20, 2022Updated 3 years ago
- ARPEScape is a MATLAB-based app that contains a set of tools and functions for analysing the electronic structure of materials using phot…☆13Mar 30, 2025Updated 11 months ago
- In this paper, we propose Filter Gradient Decent (FGD), an efficient stochastic optimization algorithm that makes a consistent estimation…☆12May 18, 2021Updated 4 years ago
- Neuromorphic simulator with two modes of computation☆10Jul 31, 2025Updated 7 months ago
- ☆10Oct 6, 2024Updated last year
- Software framework for Designing and Mapping a CNN onto neuromorphic chip with crossbar array of synapses.☆11Jan 24, 2020Updated 6 years ago
- A custom integration for Home Assistant that offers London Unified Prayer Times☆12Jun 18, 2021Updated 4 years ago
- A series of simulations organized as homework assignments that were part of the course on Neuromorphic Engineering at IIT Bombay (course …☆10Jul 19, 2016Updated 9 years ago
- An FEM code for battery-related physics☆11Feb 19, 2026Updated last week
- Verilog-A implementation of MOSFET model BSIM4.8☆15Oct 4, 2019Updated 6 years ago
- ☆12Jan 10, 2023Updated 3 years ago
- TREE-G: Decision Trees Contesting Graph Neural Networks, specialized for graph data.☆13Feb 28, 2024Updated 2 years ago
- ☆12Feb 15, 2026Updated 2 weeks ago
- Codes for translating structural defects to atomic properties☆14Sep 12, 2022Updated 3 years ago
- materials.sh☆10Sep 8, 2019Updated 6 years ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago