rouzbeh-afrasiabi

qxf2-page-object-model

Write Selenium and Appium tests in Python using the Page Object pattern. This Pythonic GUI and API test automation framework will help you get started with QA automation quickly. It comes with many useful integrations like - email, BrowserStack, Slack, TestRail, etc. This repository is developed and maintained by Qxf2 Services.

ssh2-python

Python bindings for libssh2 C library.

AutoTS

Automated Time Series Forecasting

gruenifai

Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space

AttentiveFP

protein-ebm

Energy-based models for atomic-resolution protein conformations

Apollo1060

Data and models (with prediction scripts) used in publications related to Apollo1060 platform

scaffold_network_generator

Scaffold Network Generator

whales_descriptors

python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors

DeLinker

backpack

BackPACK - a backpropagation package built on top of PyTorch which efficiently computes quantities other than the gradient.

MSGG

virtual_libraries

Supporting code for the paper «Generative molecular design in low data regimes»

Deep-Drug-Coder

A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

askcos_synthesizability

ord-schema

Schema for the Open Reaction Database

rexgen_direct

Template-free prediction of organic reaction outcomes

reinvent-randomized

Recurrent Neural Network using randomized SMILES strings to generate molecules

Stock-Prediction-Models

Gathers machine learning and deep learning models for Stock forecasting including trading bots and simulations

hgraph2graph

Hierarchical Generation of Molecular Graphs using Structural Motifs

SpanBERT

Code for using and evaluating SpanBERT.

fragment-based-dgm

Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)

DeeplyTough

DeeplyTough: Learning Structural Comparison of Protein Binding Sites

pycaret

An open-source, low-code machine learning library in Python

nevergrad

A Python toolbox for performing gradient-free optimization

longformer

Longformer: The Long-Document Transformer

DeepLearningExamples

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

pytorch-bert-document-classification

Enriching BERT with Knowledge Graph Embedding for Document Classification (PyTorch)

haystack

:mag: LLM orchestration framework to build customizable, production-ready LLM applications. Connect components (models, vector DBs, file converters) to pipelines or agents that can interact with your data. With advanced retrieval methods, it's best suited for building RAG, question answering, semantic search or conversational agent chatbots.

GB_GA

Graph-based genetic algorithm