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Structure-aware protein language model using 3D structural vocabulary (Foldseek) for joint sequence-structure pretraining, achieving SOTA on protein engineering and fitness prediction benchmarks (ICML 2024, Westlake University & Repl)

Multimodal deep learning framework integrating peptide-MHC protein sequence, structure, and biochemical properties to predict class-I immunogenicity for infectious disease epitopes and cancer neoepitopes with cancer-wildtype contrastive learning, enabling personalized vaccine design (Krishnaswamy Lab, Yale University)

Interactive personal genome analysis toolkit using Claude Code and Python. Parses raw genotyping data from consumer DNA services and analyzes SNPs across 17 categories including health risks, pharmacogenomics, ancestry, and nutrition, with a terminal-style HTML dashboard.

Open-source platform for building, extending, and experimenting with scientific agents, providing modular agent construction tools and standardized evaluation pipelines for accelerating autonomous scientific discovery research (748+ stars, MIT License)

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

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Deep learning library for Chemistry based on Tensorflow

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Deep learning library for solving PDEs

This ontology integrates cell type markers for cells in the Cell Ontology from various sources along with details of marker context (anatomical context, assay), confidence (where available) and provenance. [from repository]

Sahal Shaji Mullappilly\, Mohammed Irfan K\, Omair Mohamed, Mohamed Zidan, Fahad Khan, Salman Khan, Rao Muhammad Anwer, and Hisham Cholakkal

First benchmark evaluating LLMs' ability to rediscover scientific laws through interactive experimentation across 324 tasks in 12 physics domains, featuring memorization-resistant metaphysical shifts of canonical laws (HKUST)

GenBio AI's software stack for the AI-Driven Digital Organism, supporting adaptation and finetuning of multiscale biological foundation models across DNA, RNA, protein, structure, and single-cell tasks with reproducible CLIs and pretrained model zoo (2025)

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 54% better perplexity than standard knowledge distillation at 9.4x 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.

FASTQ and SAM quality control using Python.

A library containing basis sets for use in quantum chemistry calculations. In addition, this library has functionality for manipulation of basis set data.

A Python script that converts positional information from a SAM dataset into interval format with 0-based start and 1-based end. CIGAR string of SAM format is used to compute the end coordinate.

Universal pretrained neural network potential with charge and magnetic moment awareness, trained on 1.5M+ Materials Project inorganic structures for charge-informed molecular dynamics and phase diagram prediction (Berkeley, Nature Machine Intelligence 2023 Cover)

Deep learning-based object detection and segmentation for star-convex shapes, widely adopted for cell and nucleus segmentation in fluorescence and electron microscopy via a compact neural network architecture with non-maximum suppression and shape-based post-processing (Nature Methods 2020, 1.2K+ stars)

Rectified Quaternion Flow for efficient protein backbone generation, 37× faster than RFDiffusion with 0.972 designability (ICML 2025)

Physics-informed neural networks

Azure Semantic Kernel multi-agent PPT generation reference

From Inquiry to Decision: Building Trustworthy Medical AI

A package for working with nuclear magnetic resonance (NMR) data including functions for reading common binary file formats and processing NMR data.

File parser/converter for QM, MD and plane-wave DFT programs.

A Neural Machine Translation (NMT) model based on a custom Transformer (Encoder-Decoder) architecture, trained from scratch. This model is designed to translate English sentences into Hebrew using multilingual encoding and specialized layer configurations.

A package for creating fast and accurate interatomic potentials.

Evaluating multimodal autonomous agents in realistic scientific workflows across real scientific software environments (KAlgebra, Celestia, Grass GIS, Lean 4, etc.) with VM-based evaluation infrastructure and agent trajectories

Apache 2.0 single-cell foundation model family scaling to 3B parameters, pretrained on 266M cell profiles including perturbation data and released with training, embedding, and downstream benchmarking workflows for disease-relevant single-cell tasks (2025)

Foundation model for joint segmentation, detection, and recognition of biomedical objects across nine imaging modalities, with v2 introducing BoltzFormer architecture for end-to-end 3D inference (Microsoft, Nature Methods 2025)

Open-source toolkit and benchmark for learning-based theorem proving in Lean, providing programmatic Lean interaction, a 98K+ theorem dataset extracted from 217 Lean projects, and ReProver—the first retrieval-augmented LLM-based theorem prover for Lean—with reproducible training pipelines underpinning much subsequent Lean prover research (Caltech & NVIDIA, NeurIPS 2023 Outstanding Paper, Datasets & Benchmarks)

SCENIC+ is a python package to build gene regulatory networks (GRNs) using combined or separate single-cell gene expression (scRNA-seq) and single-cell chromatin accessibility (scATAC-seq) data.

Discrete diffusion framework for generative protein sequence design over evolutionary-scale databases, supporting unconditional generation, evolutionary-guided conditional design, motif scaffolding, and intrinsically disordered region generation through order-agnostic autoregressive diffusion, enabling sequence-only protein design without structural priors (Microsoft Research, Nature Communications 2024)

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

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)

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)

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)

ECMWF's unified framework and command-line tool to run AI-based weather forecasting models (GraphCast, Aurora, Pangu, NeuralGCM, FourCastNet) with operational ECMWF data infrastructure, enabling standardized inference and benchmarking across state-of-the-art meteorological AI systems (ECMWF, 576+ stars)

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.

## 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…