Laksh1997's Stars
mcs07/MolVS
Molecule Validation and Standardization
coleygroup/molpal
active learning for accelerated high-throughput virtual screening
bp-kelley/descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
PatWalters/resources
A Highly Opinionated List of Open Source Cheminformatics Resources
ray-project/ray
Ray is an AI compute engine. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.
molecule-one/m1wrapper-python
Molecule One API Wrapper
cokelaer/bioservices
Access to Biological Web Services from Python.
chembl/chembl_webresource_client
Official Python client for accessing ChEMBL API
catboost/catboost
A fast, scalable, high performance Gradient Boosting on Decision Trees library, used for ranking, classification, regression and other machine learning tasks for Python, R, Java, C++. Supports computation on CPU and GPU.
samirelanduk/exscientia-code-challenge
psf/black
The uncompromising Python code formatter
teddykoker/image-gpt
PyTorch Implementation of OpenAI's Image GPT
molecularsets/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
pytorch/captum
Model interpretability and understanding for PyTorch
wandb/wandb
The AI developer platform. Use Weights & Biases to train and fine-tune models, and manage models from experimentation to production.
omry/omegaconf
Flexible Python configuration system. The last one you will ever need.
pallets/click
Python composable command line interface toolkit
openai/gpt-3
GPT-3: Language Models are Few-Shot Learners
Lightning-Universe/lightning-bolts
Toolbox of models, callbacks, and datasets for AI/ML researchers.
williamFalcon/pytorch-complex-tensor
Unofficial complex tensor and scalar support for Pytorch
rdkit/rdkit
The official sources for the RDKit library
jettify/pytorch-optimizer
torch-optimizer -- collection of optimizers for Pytorch
kubernetes/kubernetes
Production-Grade Container Scheduling and Management
huggingface/datasets
🤗 The largest hub of ready-to-use datasets for ML models with fast, easy-to-use and efficient data manipulation tools
MarcSkovMadsen/awesome-streamlit
The purpose of this project is to share knowledge on how awesome Streamlit is and can be
ThilinaRajapakse/simpletransformers
Transformers for Information Retrieval, Text Classification, NER, QA, Language Modelling, Language Generation, T5, Multi-Modal, and Conversational AI
huggingface/transformers
🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.
deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
oxpig/DeLinker
getmoto/moto
A library that allows you to easily mock out tests based on AWS infrastructure.