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CebraEM is a bioinformatics tool for analyzing and processing large-scale imaging data, providing a pipeline for segmentation, annotation, and analysis with support for both Linux and Windows environments. It includes modules for core functionality, annotation, and network analysis, requiring specific dependencies and a conda environment for execution.

an automated workflow for the generation and storage of DFT calculations for organic molecules.

ICML 2025 drug discovery generalist using masked discrete diffusion and fragment-based generation with molecular context guidance (NVIDIA)

Unsloth Dynamic 2.0 achieves superior accuracy & outperforms other leading quants.

PII Detection Model | 44M Parameters | Open Source

PII Detection Model | 434M Parameters | Open Source

DeepMind's Olympiad-level geometry theorem prover combining neural language model with symbolic deduction engine, AlphaGeometry2 solves 84% of IMO geometry problems (42/50) at gold-medalist level (Nature 2024)

Standard data-centric AI package for data quality and machine learning, automatically detecting label errors, outliers, and dataset issues to improve scientific dataset reliability and model performance (11K+ stars, MIT License)

This is a MobileViT (Small) model fine-tuned on the Processed Diabetic Retinopathy dataset.

A library for building, manipulating, analyzing and automatic design of molecules, including a genetic algorithm.

Fast, modular, and accurate de novo design of protein binders based on the Protenix foundation model, achieving 17-82% nanomolar hit rates across diverse targets with 2-6× improvement over prior methods like AlphaProteo and RFdiffusion (229+ stars, Apache 2.0)

> [!NOTE] > Inspired by the thought of: what if you could speak to an offline medical assistant that doesn't decline to answer some of your questions?

Official implementation of the second-generation fully autonomous scientific discovery system, extending the original with agentic tree search and reduced template dependency to achieve workshop-level accepted papers (6.7K+ stars, 2025)

Shanghai AI Lab's deep learning-based global weather forecasting model pushing skillful forecasts beyond 10 days lead, with open-source inference code and pretrained ONNX model weights (arXiv 2023)

Cross-modal self-supervised foundation model for galaxies by Polymathic AI, jointly embedding multi-band galaxy imaging and optical spectra into a shared latent space to enable zero/few-shot redshift estimation, galaxy property prediction, morphology classification, and cross-modal similarity search (MNRAS Letters 2024)

Trainable, memory-efficient PyTorch reproduction and retraining of AlphaFold2 providing new insights into its learning dynamics and out-of-distribution generalization; widely used as the open-source AlphaFold2 backbone underpinning many downstream protein structure prediction and design pipelines (Columbia AlQuraishi Lab & OpenFold Consortium, Nature Methods 2024)

The MediPhi Model Collection comprises 7 small language models of 3.8B parameters from the base model Phi-3.5-mini-instruct specialized in the medical and clinical domains. The collection is designed in a modular fashion. Five MediPhi experts are fine-tuned on various medical corpora (i.e.

The MediPhi Model Collection comprises 7 small language models of 3.8B parameters from the base model Phi-3.5-mini-instruct specialized in the medical and clinical domains. The collection is designed in a modular fashion. Five MediPhi experts are fine-tuned on various medical corpora (i.e.

The MediPhi Model Collection comprises 7 small language models of 3.8B parameters from the base model Phi-3.5-mini-instruct specialized in the medical and clinical domains. The collection is designed in a modular fashion. Five MediPhi experts are fine-tuned on various medical corpora (i.e.

The MediPhi Model Collection comprises 7 small language models of 3.8B parameters from the base model Phi-3.5-mini-instruct specialized in the medical and clinical domains. The collection is designed in a modular fashion. Five MediPhi experts are fine-tuned on various medical corpora (i.e.

The MediPhi Model Collection comprises 7 small language models of 3.8B parameters from the base model Phi-3.5-mini-instruct specialized in the medical and clinical domains. The collection is designed in a modular fashion. Five MediPhi experts are fine-tuned on various medical corpora (i.e.

## Description: Geneformer is a foundational transformer model pretrained on a large-scale corpus of single-cell transcriptomes to enable context-specific predictions in settings with limited data in network biology.

## Description: Geneformer is a foundational transformer model pretrained on a large-scale corpus of single-cell transcriptomes to enable context-specific predictions in settings with limited data in network biology. This model version was continually pretrained on ~14 million cancer transcriptomes…

## Description: Geneformer is a foundational transformer model pretrained on a large-scale corpus of single-cell transcriptomes to enable context-specific predictions in settings with limited data in network biology.

Python-centric Cookiecutter for Molecular Computational Chemistry Packages by [MolSSL](https://molssi.org/)

## Description: Geneformer is a foundational transformer model pretrained on a large-scale corpus of single-cell transcriptomes to enable context-specific predictions in settings with limited data in network biology.

Multimodal whole-slide pathology foundation model jointly pretrained on H&E histology and diagnostic text reports, enabling zero-shot cancer subtyping, biomarker prediction, and multimodal reasoning across diverse cancer types (Mahmood Lab, 341+ stars)

For a convenient overview and download list, visit our model page for this model.

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Full spaCy pipeline and models for scientific/biomedical documents, enabling named entity recognition, abbreviation resolution, and UMLS linking for scientific literature mining (1.9K+ stars, Apache 2.0)

The Bibframe vocabulary consists of RDF classes and properties used for the description of items cataloged principally by libraries, but may also be used to describe items cataloged by museums and archives. Classes include the three core classes - Work, Instance, and Item - in addition to many more classes to support description. Properties describe characteristics of the resource being described as well as relationships among resources. For example: one Work might be a "translation of" another Work; an Instance may be an "instance of" a particular Bibframe Work. Other properties describe attributes of Works and Instances. For example: the Bibframe property "subject" expresses an important attribute of a Work (what the Work is about), and the property "extent" (e.g. number of pages) expresses an attribute of an Instance.

Autonomous multi-agent research loop for model architecture discovery that ran 1,773 experiments over 20,000 GPU hours and produced 106 state-of-the-art linear-attention architectures, surpassing human-designed baselines including Mamba2 and DeltaNet (1.1K+ stars, Apache 2.0)

Hulu-Med: A Transparent Generalist Model towards Holistic Medical Vision-Language Understanding

Large Language and Vision Assistant for bioMedicine (i.e., “LLaVA-Med”) is a large language and vision model trained using a curriculum learning method for adapting LLaVA to the biomedical domain. It is an open-source release intended for research use only to facilitate reproducibility of the…

This model was added by Hugging Face staff.

Tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.

A crystallography domain ontology based on EMMO and the CIF core dictionary. It is implemented as a formal language. (from https://nfdi4cat.org/services/ontologie-sammlung/)

A vocabulary describing licenses for data and code

Autonomous algorithm discovery combining evolutionary search with peer-review reward models, achieving best-known performance on circle packing problems

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BulkRNABert is a transformer-based, encoder-only language model pre-trained on bulk RNA-seq profiles from the TCGA dataset using self-supervised masked language modeling, following the original BERT framework. The model is trained to reconstruct randomly masked gene expression values from their…

Graph neural network operating entirely at the atomic level for protein-ligand conformational ensemble prediction and docking, generating diverse solutions through rapid stochastic denoising to model conformational heterogeneity (Baker Lab, bioRxiv 2025)

ChemFIE-BED is a sentence-transformers based on gbyuvd/chemselfies-base-bertmlm fine-tuned on around (for now) 2 million pairs of valid molecules' SELFIES (Krenn et al. 2020) taken from COCONUTDB (Sorokina et al. 2021) and ChemBL34 (Zdrazil et al. 2023).

ChemFormula provides a class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights, and generating formatted output strings (e.g. in HTML, LaTeX, or Unicode).

GitHub homepage: Cell2Sentence GitHub

Discovering interpretable features in protein language models via sparse autoencoders, enabling mechanistic understanding of PLM representations for protein engineering and design (288+ stars, MIT License)

First versatile medical reasoning agent for chest X-ray interpretation, dynamically integrating state-of-the-art CXR analysis tools and multimodal LLMs into a unified framework; introduces ChestAgentBench with 2,500 complex medical queries across 7 categories (bowang-lab, 1.1K+ stars)

A library for computational chemistry (DFT) for input file generation, data extraction, method screening and analysis.