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agox

ase

Atomic Simulation Environment - mirror of https://gitlab.com/ase/ase

ase-espresso

ase interface for Quantum Espresso

catlearn

A machine learning environment for atomic-scale modeling in surface science and catalysis.

cluster_setup

coare-utility

Utility functions to improve workflow in using the COARE facility.

computational-material-science

Compilation of Material Science codes and guide

coursera-deep-learning-specialization

Notes, programming assignments and quizzes from all courses within the Coursera Deep Learning specialization offered by deeplearning.ai: (i) Neural Networks and Deep Learning; (ii) Improving Deep Neural Networks: Hyperparameter tuning, Regularization and Optimization; (iii) Structuring Machine Learning Projects; (iv) Convolutional Neural Networks; (v) Sequence Models

coursera_capstone

Repository for Coursera's Capstone modules

cube-toolz

Python tool to manipulate Gaussian cube files

digital-alchemy

A compilation of notes, recipes and workflows used or developed for doing computational material science

dmol-book

Deep learning for molecules and materials book

ghost-in-the-shell

Utility for managing ghost jobs in smith supercomputer

gofee

gofee-book

Tutorial on GOFEE usage with different calculators

jupyter-book

Create beautiful, publication-quality books and documents from computational content.

kimrojas.github.io

kotlin_tutorial

Collection of files created during kotlin tutorial

local-llms-analyse-finance

In this project, I explored how local LLMs can be used to label data and support analyses. Specifically, I used Llama2 model to automatically categorise my bank transaction data.

machine-learning-book

Code Repository for Machine Learning with PyTorch and Scikit-Learn

machine-learning-review

Compilation of machine learning papers reviewed by lab members

matplotlib-gallery

Examples of matplotlib codes and plots

matscitoolkit

Set of utilities for processing input and output data for Mat Sci softwares

open_hpc

Dasandata's Open HPC Cluster Recipes

openhpc-installation

Cluster/HPC installation for diskless compute nodes

prml

PRML notes, proofs and algorithms implemented in Python

prml_ctgk

PRML algorithms implemented in Python

prml_python

Implement prml contents with python

python-adventure

Python Adventure

python-webdev

Python-based web development tutorials