Scientific Computing and Machine Learning - Online Course by DeepThought Science
☆41Jun 18, 2022Updated 3 years ago
Alternatives and similar repositories for SCML
Users that are interested in SCML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆38Updated this week
- The Molecular Dynamics teaching code.☆12Oct 17, 2025Updated 6 months ago
- USER-MESO package for LAMMPS☆13Oct 9, 2016Updated 9 years ago
- Abaqus VUMAT fortran subroutine for a Neo-Hookean material☆17Nov 12, 2018Updated 7 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Using arduino to perform most functions of a basic BMS such as SOC, SOH estimation, passive cell balancing and remote monitoring of batte…☆10Dec 2, 2023Updated 2 years ago
- Mapping from Coarse Grain Models to Atomistic (and Back)☆20Sep 27, 2023Updated 2 years ago
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆14Apr 28, 2026Updated last week
- Demystify the undocumented Quantum ESPRESSO input/output☆12Jan 28, 2024Updated 2 years ago
- code for ZStruct-2☆15Aug 31, 2024Updated last year
- ☆11Aug 30, 2023Updated 2 years ago
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆18Mar 20, 2026Updated last month
- High-throughput simulation for crystalline interfaces☆19Apr 29, 2026Updated last week
- [Re] Next Generation Reservoir Computing☆11Dec 12, 2022Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆13Feb 14, 2022Updated 4 years ago
- A MATLAB implementation of an Echo State Network, using an unsupervised learning rule for pre-training the reservoir called Intrinsic Pla…☆10Aug 5, 2018Updated 7 years ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆79Sep 23, 2024Updated last year
- Python GUI for differential forms☆13Oct 14, 2023Updated 2 years ago
- A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physi…☆17May 2, 2026Updated last week
- This repo contains the benchmarks for Enzyme on GPU's☆11Updated this week
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆22Aug 27, 2024Updated last year
- ☆14Mar 18, 2025Updated last year
- ☆11Apr 17, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- MCP tools to connect LLMs and ABACUS jobs☆23Apr 7, 2026Updated last month
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- Implementation of Materials Discovery with Extreme properties via AI-Driven Combinatorial Chemistry☆10May 8, 2024Updated 2 years ago
- ipython notebooks and other materials for third year Quantum Mechanics course at UCL☆14Jan 20, 2017Updated 9 years ago
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆21Nov 22, 2025Updated 5 months ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Apr 27, 2026Updated last week
- use SymPy to generate equations for parametric surfaces☆18May 7, 2012Updated 14 years ago
- SymPy based framework for optimized code generation for BSSN formulation of Einstein equation for heterogeneous platforms.☆11Aug 18, 2025Updated 8 months ago
- ☆11Nov 19, 2019Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Aggregation of SymPy related blogs☆15Apr 27, 2026Updated last week
- Read, process and plot EBSD (electron backscatter diffraction) data☆14Jan 7, 2019Updated 7 years ago
- Curated collection of AI for Science papers, organized by research domains. 收录并分类整理公众号【你好不吃虾】中分享的 AI for Science 论文。☆33Oct 28, 2025Updated 6 months ago
- ☆18Jan 6, 2025Updated last year
- Training code used to optimize reaxff force field (via LAMMPS)☆20May 29, 2017Updated 8 years ago
- Tutorials on CP2K calculations☆66Dec 16, 2021Updated 4 years ago
- Python3 Implementation of a Multi-Delay Coupled Reservoir, with a Demonstration on a NARMA10 Dataset.☆10Feb 24, 2018Updated 8 years ago