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AI-powered pipeline converting papers into interactive websites, posters, and multimedia presentations with "Let's Make Your Paper Alive!" philosophy

Transformer encoder-decoder for de novo peptide sequencing from tandem mass spectrometry, translating MS/MS spectra directly to peptide sequences without reference databases, enabling identification of novel peptides for immunopeptidomics, antibody repertoires, and metaproteomes (Noble Lab UW, Nature Communications 2024)

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

General multimodal protein design framework enabling DNA-encoding of chemistry for programmable enzyme design and diverse protein generation through diffusion-based generative modeling (190+ stars, Apache 2.0, 2026)

A Package For Training SNAP Interatomic Potentials for use in the LAMMPS molecular dynamics package.

Interactive and hardware-agnostic SDK for laboratory automation, enabling programmatic control of liquid handlers, plate readers, and other lab instruments across multiple vendors; foundational infrastructure for self-driving laboratories and AI-driven experimental execution (447+ stars)

Automatic Filtering, Trimming, Error Removing and Quality Control for fastq data.

Unified framework for state-of-the-art pre-trained bio foundation models across genomics and transcriptomics, providing standardized interfaces and pipelines for DNA, RNA, and single-cell models including Evo 2, Geneformer, scGPT, and UCE with streamlined inference, benchmarking, and fine-tuning workflows (213+ stars, 2024-2025)

## 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…

# or·a·cle /ˈôrəkəl/ — a source of wise counsel; one who provides authoritative knowledge. From Latin ōrāculum, meaning divine announcement. In computer science, an oracle is a black box that always returns the correct answer — you don't ask it how it knows, you ask and it answers.

## 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.

darkknight25/deepseek-16b-medical-GPT is a fine-tuned version of deepseek-ai/deepseek-l6b-moe-chat, optimized for medical question answering, reasoning, and clinical summarization using QLoRA and open-access healthcare datasets.

> [!NOTE] > This model has been optimized using NVIDIA's TransformerEngine > library. Slight numerical differences may be observed between the original model and the optimized > model. For instructions on how to install TransformerEngine, please refer to the > official documentation.

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

If you are unsure how to use GGUF files, refer to one of TheBloke's READMEs for more details, including on how to concatenate multi-part files.

datasets: - UMLS

## 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.

> [!NOTE] > This model has been optimized using NVIDIA's TransformerEngine > library. Slight numerical differences may be observed between the original model and the optimized > model. For instructions on how to install TransformerEngine, please refer to the > official documentation.

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).

Equivariant graph attention Transformer (ICLR2023)

First agentic LLM for autonomous data science with end-to-end pipeline from data to analyst-grade reports

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).

This model is a lightweight model pre-trained on SELFIES (Self-Referencing Embedded Strings) representations of molecules. It is trained on 2.7M unique and valid molecules taken from COCONUTDB and ChemBL34, with 7.3M total generated masked examples.

A compact protein language model distilled from ProtGPT2 using complementary-regularizer distillation---a method that combines uncertainty-aware position weighting with calibration-aware label smoothing to achieve 31% better perplexity than standard knowledge distillation at 3.8x compression.

A compact protein language model distilled from ProtGPT2 using complementary-regularizer distillation---a method that combines uncertainty-aware position weighting with calibration-aware label smoothing to achieve 87% better perplexity than standard knowledge distillation at 20x compression.

# ChemGPT 1.2B ChemGPT is based on the GPT-Neo model and was introduced in the paper Neural Scaling of Deep Chemical Models.

# ChemGPT 19M ChemGPT is based on the GPT-Neo model and was introduced in the paper Neural Scaling of Deep Chemical Models.

# ChemGPT 4.7M ChemGPT is based on the GPT-Neo model and was introduced in the paper Neural Scaling of Deep Chemical Models.

Deep learning for chemistry and materials science remains a novel field with lots of potiential. However, the popularity of transfer learning based methods in areas such as NLP and computer vision have not yet been effectively developed in computational chemistry + machine learning.

An Evolutionary-scale Model (ESM) for protein function prediction from amino acid sequences using the Gene Ontology (GO). Based on the ESM2 Transformer architecture, pre-trained on UniRef50, and fine-tuned on the AmiGO dataset, this model predicts the GO subgraph for a particular protein sequence -…

An Evolutionary-scale Model (ESM) for protein function prediction from amino acid sequences using the Gene Ontology (GO). Based on the ESM2 Transformer architecture, pre-trained on UniRef50, and fine-tuned on the AmiGO dataset, this model predicts the GO subgraph for a particular protein sequence -…

An Evolutionary-scale Model (ESM) for protein function prediction from amino acid sequences using the Gene Ontology (GO). Based on the ESM2 Transformer architecture, pre-trained on UniRef50, and fine-tuned on the AmiGO dataset, this model predicts the GO subgraph for a particular protein sequence -…

An Evolutionary-scale Model (ESM) for protein function prediction from amino acid sequences using the Gene Ontology (GO). Based on the ESM2 Transformer architecture, pre-trained on UniRef50, and fine-tuned on the AmiGO dataset, this model predicts the GO subgraph for a particular protein sequence -…

An Evolutionary-scale Model (ESM) for protein function prediction from amino acid sequences using the Gene Ontology (GO). Based on the ESM2 Transformer architecture, pre-trained on UniRef50, and fine-tuned on the AmiGO dataset, this model predicts the GO subgraph for a particular protein sequence -…

# GPN trained on Arabidopsis thaliana and 7 other Brassicales See https://github.com/songlab-cal/gpn for more details.

Genos-m is a foundation model for human-associated microbial genomes. It is trained to model microbial DNA sequences at single-nucleotide resolution and supports ultra-long genomic contexts up to one million tokens.

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

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

Fine-tuned version of google/gemma-4-E4B-it across three professional domains — Medical, Legal, and Finance — using QLoRA (4-bit NF4) with Optuna-tuned hyperparameters, trained on Kaggle T4 GPU.