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alphadrug

AlphaDrug: Protein Target Specific De Novo Molecular Generation

bert-chinese-text-classification-pytorch

使用Bert，ERNIE，进行中文文本分类

chatrwkv

ChatRWKV is like ChatGPT but powered by RWKV (100% RNN) language model, and open source.

chemts-torch

PyTorch Implementation of ChemTS as a de novo molecule designer

chinese-text-classification-pytorch

中文文本分类，TextCNN，TextRNN，FastText，TextRCNN，BiLSTM_Attention，DPCNN，Transformer，基于pytorch，开箱即用。

diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

dmpnn

druggps_icml23

Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"

eat_pytorch_in_20_days

Pytorch🍊🍉 is delicious, just eat it! 😋😋

flag

Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"

geoldm

Geometric Latent Diffusion Models for 3D Molecule Generation

geph4-client

Geph (迷霧通) is a modular Internet censorship circumvention system designed specifically to deal with national filtering.

idd-papers-fragrl

Repo for fragrl code for publication

keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.

lingo3dmol

llama

Inference code for LLaMA models

machine_learning

markov-molecular-sampling

mdlearning

learningwork

medical-dialogue-system

medical_nlp

Medical NLP Competition, dataset, large models, paper 医疗NLP领域 比赛，数据集，大模型，论文，工具包

mimic-website

Website for the MIMIC Critical Care Database (currently version MIMIC-III)

minimal_vae_on_selfies

A minimal implementation of a VAE on molecules, encoded as SELFIES

moses

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

rdock

rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.

reduce

Reduce - tool for adding and correcting hydrogens in PDB files

rtmscore

rwkv-lm

RWKV is an RNN with transformer-level LLM performance. It can be directly trained like a GPT (parallelizable). So it's combining the best of RNN and transformer - great performance, fast inference, saves VRAM, fast training, "infinite" ctx_len, and free sentence embedding.

rwkv.cpp

INT4 and FP16 inference on CPU for RWKV language model

sbmolgen