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abc

aescore

Learning Protein-Ligand Properties with Atomic Environment Vectors

alphamx_vue

cadd

cafe

Cafe: Coarse-to-Fine Neural Symbolic Reasoning for Explainable Recommendation

chemprop

Message Passing Neural Networks for Molecule Property Prediction

cmpnn_aev

controlnet

Let us control diffusion models!

datasciencestudynotes

这个仓库保管从（数据科学学习手札69）开始的所有代码、数据等相关附件内容

deep_dock

deeppath_pytorch

diffshape_sample

distancematrixgpu

GPU accelerated distance matrix calculation

dockstreamcommunity

ecif

Extended Connectivity Interaction Features

graph-neural-networks

Graph Neural Networks for Quantum Chemistry

graphguide

guided-diffusion

jodo

Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation

kbe4explainablerecommendation

Code for Paper: CFKG: Learning Heterogeneous Knowledge Base Embeddings for Explainable Recommendation (KBE4ER)

latent-diffusion

High-Resolution Image Synthesis with Latent Diffusion Models

marlpar

Code and models for the paper Path Reasoning over Knowledge Graph: A Multi-Agent and Reinforcement Learning Based Method

midi

MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation

minerva

Meandering In Networks of Entities to Reach Verisimilar Answers

molgpt

molprop

molscore

An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

mtl

Unofficial implementation of: Multi-task learning using uncertainty to weigh losses for scene geometry and semantics

nlp_ability

总结梳理自然语言处理工程师(NLP)需要积累的各方面知识，包括面试题，各种基础知识，工程能力等等，提升核心竞争力