A game theoretic approach to explain the output of any machine learning model.

Official inference library for Mistral models

TensorFlow 2.x version's Tutorials and Examples, including CNN, RNN, GAN, Auto-Encoders, FasterRCNN, GPT, BERT examples, etc. TF 2.0版入门实例代码，实战教程。

A library for debugging/inspecting machine learning classifiers and explaining their predictions

PyTorch implementation for Score-Based Generative Modeling through Stochastic Differential Equations (ICLR 2021, Oral)

从无名小卒到大模型（LLM）大英雄~ 欢迎关注后续！！！

中文翻译的 Hands-On-Large-Language-Models (hands-on-llms)，动手学习大模型

Code for the ProteinMPNN paper

A scikit-learn-compatible library for estimating prediction intervals and controlling risks, based on conformal predictions.

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

Neural Turing Machines (NTM) - PyTorch Implementation

BioNeMo Framework: For building and adapting AI models in drug discovery at scale

Diffusion models of protein structure; trigonometry and attention are all you need!

DeltaPy - Tabular Data Augmentation (by @firmai)

BERT for Multitask Learning

Deep Reinforcement Learning for de-novo Drug Design

repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

Wrapper for a PyTorch classifier which allows it to output prediction sets. The sets are theoretically guaranteed to contain the true class with high probability (via conformal prediction).

Scoring of shape and ESP similarity with RDKit

active learning for accelerated high-throughput virtual screening

Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

Facilitates searching, screening, and organizing large chemical databases

Predict multiple protein conformations using sequence clustering and AlphaFold2.

Active Learning Workshop Materials

Mol-CycleGAN - a generative model for molecular optimization

ICLR'24 | BioBridge: Bridging Biomedical Foundation Models via Knowledge Graphs