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Starred repositories
A LLM agent framework for drug discovery
Collection of papers for Molecular Representation using AI
Production-ready platform for agentic workflow development.
Protein representation and design under a single training scheme
A framework for training diffusion models with stable, self-consistent scores near the data distribution.
Training teachers with reinforcement learning able to make LLMs learn how to reason for test time scaling.
Chat with your data - AI data analysis and visualization on CSV, Postgres, MySQL, Snowflake, SQLite...
<Foundations of Computer Vision> Book
torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.
A Chemistry Toolkit that turns your AI assistant into a Chemistry coscientist..
A powerful tool for creating fine-tuning datasets for LLM
All standford Cheatsheets: Artificial Intelligence, Transformers, LLMs, Deep Learning, Machine Learning, Probabilities, Statistics, Algebra and Calculus.
BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding
TradingAgents: Multi-Agents LLM Financial Trading Framework
A collection of Nerual Network Models for chemistry
MLX-Embeddings is the best package for running Vision and Language Embedding models locally on your Mac using MLX.
Structure prediction and design of proteins with noncanonical amino acids
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.
[ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction"
NeurIPS 2024 Dataset and Benchmark Submission "AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction"
A framework for calibration measurement of binary probabilistic models
lamalab-org / chempile
Forked from OpenBioML/chemnlpChemPile project
Fast and accurate in silico inference of HLA genotypes from RNA-seq