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ros_face

rosetta_rifdock

rifdock

rosettadesign

RosettaDesign using PyRosetta

rosettafold

This package contains deep learning models and related scripts for RoseTTAFold

rxnfp

Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

sailvina

SailVina重构增强版

scaffold_network_generator

Scaffold Network Generator

scaffold_network_generator-1

Scaffold Network Generator

scaffoldgraph

ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

scipoptsuite-feedstock

A conda-smithy repository for scipoptsuite.

se3-transformer-public

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

se3_equivariant_place_recognition

SE(3)-Equivariant Point Cloud-based Place Recognition

smiles_to_onehot

Convert SMILES (chemical structure) to one-hot matrix.

sneakerbottutorials

Open Source SneakerBot created as a supplement to my "Creating a Sneaker Bot in Python" Youtube Series

sneakers_project

Using Selenium, Neha scraped data about 35 top selling sneakers of Nike and Adidas from stockx.com. She used this data to draw insights about sneaker resales.

softwareengineering-series

:books: 软件工程、算法与架构：数据结构与算法、设计模式、软件架构、协同开发、质量保障 QA

spider

sprint

SPRINT: Scoring PRotein INTeractions

stockpredict-ml

Stock prediction using FB Prophet algorithm

taichi

Productive & portable programming language for high-performance, sparse & differentiable computing on CPUs & GPUs

teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

tf_proteins

some tools for working with protein (PDB) files in tensorflow

the-book-of-secret-knowledge

A collection of inspiring lists, manuals, cheatsheets, blogs, hacks, one-liners, cli/web tools and more.

the-databases-for-drug-discovery

The Databases for Drug Discovery (DDD)

topobuilder

Parametric Building of de novo Functional Topologies

toxicophore

toxsmi

Toxicity prediction models

training-material

A collection of Galaxy-related training material

transformers

🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.

trdesign

trRosetta for protein design