dakkki Goto Github PK

100-days-of-ml-code

100-Days-Of-ML-Code中文版

autodock-vina

AutoDock Vina

books

collected eBooks

cheminftools

A collection of small scripts and utilities that would otherwise float around in other repositories

chemprop

Message Passing Neural Networks for Molecule Property Prediction

chouqian

药学院复试抽签系统

d_rmsf-for-pymol

用于计算以及可视化d_rmsf结果

dakkki.github.io

dakki的个人博客

deep-learning-with-tensorflow-book

深度学习入门开源书，基于TensorFlow 2.0案例实战。Open source Deep Learning book, based on TensorFlow 2.0 framework.

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

deeplearninglifesciences

Example code from the book "Deep Learning for the Life Sciences"

deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

easygromacs

This is a simple GUI for protein simulations with Gromacs on Linux systems

ml-nlp

此项目是机器学习(Machine Learning)、深度学习(Deep Learning)、NLP面试中常考到的知识点和代码实现，也是作为一个算法工程师必会的理论基础知识。

molgpka

The graph-convolutional neural network for pka prediction

notes

Personal Notes

oddt

Open Drug Discovery Toolkit

rdkit

The official sources for the RDKit library

rdkit-tutorials

Tutorials to learn how to work with the RDKit

tdc

Therapeutics Data Commons: Machine Learning Datasets for Therapeutics

vscreenml

This repository contains the implementation of a novel machine learning classifier trained on the Dataset of Congruent Inhibitors and Decoys (D-COID))

workshop

xgboost

Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C++ and more. Runs on single machine, Hadoop, Spark, Flink and DataFlow

youtube_video_code

The code for all the YouTube videos I publish on YouTube.