wushanyun64
I'm a computational chemist trying to draw the link between experimentally acquired and computed data.
wushanyun64's Stars
samgoldman97/mist
Encoding MS/MS spectra using formula transformers for inferring molecular properties
mlabonne/llm-course
Course to get into Large Language Models (LLMs) with roadmaps and Colab notebooks.
sparks-baird/self-driving-lab-demo
Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive design algorithm, as well as extensions to liquid- and solid-based color matching demos.
langchain-ai/langchain
🦜🔗 Build context-aware reasoning applications
imbs-hl/ranger
A Fast Implementation of Random Forests
pytorch/botorch
Bayesian optimization in PyTorch
SheffieldML/GPyOpt
Gaussian Process Optimization using GPy
scikit-learn-contrib/forest-confidence-interval
Confidence intervals for scikit-learn forest algorithms
deezer/spleeter
Deezer source separation library including pretrained models.
se2p/pynguin
The PYthoN General UnIt Test geNerator is a test-generation tool for Python
CitrineInformatics/lolo
A random forest
vgrem/Office365-REST-Python-Client
Microsoft 365 & Microsoft Graph Library for Python
PKU-DAIR/open-box
Generalized and Efficient Blackbox Optimization System
cog-imperial/tree_kernel_gp
svedel/greattunes
Easy-to-use Bayesian Optimization across continuous, categorical and integer variables (as well as any combination of variables) made available for either closed-loop or user-driven (manual) optimization of either known or unknown objective functions. Drawing on PyTorch (GPyTorch), BOTorch and with proprietary extensions.
pypa/sampleproject
A sample project that exists for PyPUG's "Tutorial on Packaging and Distributing Projects"
hpcaitech/ColossalAI
Making large AI models cheaper, faster and more accessible
navdeep-G/setup.py
📦 A Human's Ultimate Guide to setup.py.
pymc-devs/pymc
Bayesian Modeling and Probabilistic Programming in Python
ericmjl/bayesian-deep-learning-demystified
In which I try to demystify the fundamental concepts behind Bayesian deep learning.
scikit-optimize/scikit-optimize
Sequential model-based optimization with a `scipy.optimize` interface
google/uncertainty-baselines
High-quality implementations of standard and SOTA methods on a variety of tasks.
facebook/Ax
Adaptive Experimentation Platform
FourthBrain/software-dev-for-mlops-101
Set up your local environment to do some real Machine Learning Operations software development, just like pro MLOps practitioners.
https-deeplearning-ai/machine-learning-engineering-for-production-public
Public repo for DeepLearning.AI MLEP Specialization
molmd/mdproptools
A Python package for LAMMPS analysis tools
cdfoundation/sig-mlops
CDF SIG MLOps
easystats/correlation
:link: Methods for Correlation Analysis
L1aoXingyu/Deep-Learning-Project-Template
A best practice for deep learning project template architecture.
fastai/fastai
The fastai deep learning library