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Introduction to Quantum Mechanics for Chemists

BioNeMo NIMs example notebooks: for optimized inference at scale

A Unified Semi-Supervised Learning Codebase (NeurIPS'22)

A paper list for box embeddings

QSAR Tutorial - Obtaining data from ChEMBL and playing around with RDKit

Examples in the MLX framework

PyTorch Implementation of Jamba: "Jamba: A Hybrid Transformer-Mamba Language Model"

MLX Transformers is a library that provides model implementation in MLX. It uses a similar model interface as HuggingFace Transformers and provides a way to load and run models in Apple Silicon dev…

Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

CoreNet: A library for training deep neural networks

DFT for dummies, my understanding about certain aspects of density functional theorem

ProtFeat is protein feature extraction tool that utilizes POSSUM and iFeature.

List of papers about Proteins Design using Deep Learning

Official repository for the Boltz-1 biomolecular interaction model