Merge pull request '[Upstream sync] ai-boost/awesome-ai-for-science (github) — 0 added, 1 modified' (#94) from upstream-sync/awesome-ai-for-science-20260904-e18934-poor into main

Reviewed-on: #94

upstream/ai-boost-awesome-ai-for-science/catalogue/README.md

@@ -2,9 +2,9 @@
 title: "Readme"
 task: ""
 lineage_type: import
-upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/ec6f3650/README.md
-upstream_sha: ec6f3650
-imported_at: 2026-08-21
+upstream_source: https://github.com/ai-boost/awesome-ai-for-science/blob/e1893484/README.md
+upstream_sha: e1893484
+imported_at: 2026-09-04
 prompt_class: catalogue
 upstream_changes: accepted
 author: upstream
@@ -207,6 +207,7 @@ validated: false
 - [Jupyter AI (JupyterLab Extension)](https://github.com/jupyterlab/jupyter-ai) - Official Jupyter extension with `%%ai` magic commands and sidebar chat assistant, connecting multiple model providers and local inference
 - [Notebook Intelligence (NBI)](https://github.com/notebook-intelligence/notebook-intelligence) - AI coding assistant for JupyterLab with agent mode, supporting arbitrary LLM providers (2025+)
 - [Google Colab AI Features](https://colab.research.google.com/) - Integrated AI assistance for data science and research notebooks
+- [OpenAI4S](https://github.com/PKU-YuanGroup/OpenAI4S) - Open-source hybrid scientific research agent and workbench replicating Claude Science, combining JSON tool orchestration with persistent Python/R Code-as-Action kernels, 604 bundled science skills, MCP connectors, sandboxed local execution, and multi-provider LLM support for end-to-end scientific workflows (PKU–YuanKong Intelligence, 377+ stars, MIT License, 2026)
 - [OpenBioMed](https://github.com/PharMolix/OpenBioMed) - Open-source biomedical AI platform integrating multimodal foundation models (BioMedGPT, PharmolixFM, LangCell) with agentic workflows and 45+ Claude Code skills for drug discovery, protein engineering, and single-cell omics analysis (PharMolix & Tsinghua AIR, 1K+ stars, 2023-2026)
 - [AutoR](https://github.com/AutoX-AI-Labs/AutoR) - Human-centered research OS with terminal-first harness and local browser Studio, turning research work into reproducible artifact-backed runs through a 9-stage workflow with human approval gates, resume/rollback controls, and venue-aware manuscript packaging (1K+ stars, 2026)
 - [ScholarAIO](https://github.com/ZimoLiao/scholaraio) - Agent-agnostic research infrastructure providing AI agents with a structured scientific workspace for deep PDF parsing, hybrid semantic/keyword literature search, citation-graph analysis, topic discovery, and academic writing workflows; natively integrates with Claude Code, Codex, Cursor, Cline, and AgentSkills.io (530+ stars, MIT License, 2026)
@@ -237,6 +238,7 @@ validated: false
 - [Obsidian Smart Connections](https://github.com/brianpetro/obsidian-smart-connections) - AI-powered note linking and research graph navigation
 - [Research Rabbit](https://www.researchrabbit.ai/) - AI-powered literature discovery and research network mapping
 - [SciWrite](https://github.com/labarba/sciwrite) - Agent skill for AI-assisted scientific manuscript writing review distilled from Stanford's *Writing in the Sciences* course, performing five sequential editorial audit passes on clarity, voice, structure, consistency, and integrity (2026)
+- [PaperSpine](https://github.com/WUBING2023/PaperSpine) - Motivation-driven academic writing system for Claude Code, Codex, OpenClaw, and Hermes CLI that learns from strong papers, builds evidence-aware central-argument blueprints, and rewrites manuscripts with revision matrices and LaTeX-safe audits (4.9K+ stars, MIT License, 2026)
 - [Claude Prism](https://github.com/delibae/claude-prism) - Offline-first scientific writing workspace powered by Claude, integrating LaTeX, Python, and 100+ scientific skills with local execution, Zotero integration, and privacy-focused design (2026)
 
 ---
@@ -307,6 +309,7 @@ validated: false
 - [Scholar Loop](https://github.com/renee-jia/scholar-loop) - Autonomous multi-agent AI scientist that mirrors a PhD workflow: literature review → grounded hypothesis → real ML experiments → self-critique → write-up; features a deterministic harness with frozen-metric scoring, edit allowlists, and a verified registry to make reward-hacking and hallucination impossible, plus 108 unit tests runnable without API keys or GPUs (461+ stars, MIT License, 2026)
 - [ResearchStudio (Microsoft)](https://github.com/microsoft/ResearchStudio) - AI co-author covering the entire research lifecycle — from an under-specified research direction to a published paper; includes ResearchStudio-Idea for evidence-grounded research ideation and ResearchStudio-Reel for turning finished papers into posters, narrated videos, blogs, and interactive reels; runs as skills on Claude Code and Codex (1.2K+ stars, MIT License, 2026)
 - [Principia](https://github.com/pzqpzq/Principia) - Principle-first scientific idea discovery framework that extracts reusable principles from public literature and private research materials, composes them into traceable Idea Cards with prior-art comparisons, and exports validation-ready research packs; emphasizes inspectable scientific objects, risk disclosure, and falsification paths (ICML 2026, 411+ stars, MIT License)
+- [Imbue Catalyst](https://github.com/imbue-ai/catalyst) - Semi-autonomous AI scientist for scientific theory discovery and verifiable goal solving, using adversarial review-refinement loops and evolution-inspired candidate populations; integrates with Claude Code, Gemini CLI, Antigravity, and Codex harnesses (Imbue, 31+ stars, AGPL-3.0, 2026)
 
 ### Evaluation & Benchmarking
 - [ScienceAgentBench (ICLR 2025)](https://github.com/OSU-NLP-Group/ScienceAgentBench) - 102 executable tasks from 44 peer-reviewed papers across 4 disciplines with containerized evaluation
@@ -399,6 +402,7 @@ validated: false
 - [Fourier Neural Operator](https://github.com/neuraloperator/neuraloperator) - Learning operators in Fourier space
 - [Poseidon](https://github.com/camlab-ethz/poseidon) - Efficient foundation models for PDEs with pretrained transformer-based neural operators and downstream task fine-tuning pipelines, HuggingFace integration for models and datasets (ETH Zurich CAMLab, arXiv 2024)
 - [GAOT (NeurIPS 2025)](https://github.com/camlab-ethz/GAOT) - Geometry Aware Operator Transformer serving as an efficient and accurate neural surrogate for PDEs on arbitrary domains, combining geometric priors with transformer architectures for scientific computing (ETH Zurich CAMLab, 92+ stars)
+- [TensorMesh (ETH Zurich CAMLab, arXiv 2026)](https://github.com/camlab-ethz/TensorMesh) - Fast, differentiable, JIT-free finite element library for PyTorch enabling GPU-native PDE solving with native autograd, tensorized assembly, and sparse linear algebra; part of the TensorGalerkin framework (218+ stars, Apache 2.0)
 - [PhiFlow](https://github.com/tum-pbs/PhiFlow) - Differentiable PDE solving framework for machine learning with built-in fluid simulation, supporting PyTorch/JAX/TensorFlow backends and enabling neural network training within physical simulations (TUM, MIT License)
 - [exponax](https://github.com/Ceyron/exponax) - Efficient differentiable n-dimensional PDE solvers built on JAX and Equinox, shipping 46+ built-in equations with Fourier spectral methods, exponential time differencing, and full auto-differentiation for physics-based deep learning workflows (MIT, 200+ stars, 2024)
 
@@ -648,6 +652,7 @@ validated: false
 - [snntorch](https://github.com/jeshraghian/snntorch) - Deep learning with spiking neural networks in Python, providing gradient-based training of SNNs via PyTorch autodifferentiation for brain-inspired computing and neuromorphic research, with online learning capabilities and extensive tutorials (1.9K+ stars, actively maintained)
 - [nilearn](https://github.com/nilearn/nilearn) - Machine learning and statistical learning for neuroimaging in Python, providing easy-to-use tools for fMRI and MRI analysis including decoding, connectivity estimation, and parcellation with seamless scikit-learn integration (INRIA Parietal team, 1.4K+ stars)
 - [BrainIAC (Nature Neuroscience 2026)](https://github.com/AIM-KannLab/BrainIAC) - Self-supervised vision foundation model for generalized structural brain MRI analysis, pretrained on ~49,000 scans from diverse datasets and generalizing across brain age prediction, dementia/MCI classification, IDH mutation detection, glioma survival prediction, time-to-stroke estimation, MR sequence classification, and brain tumor segmentation; outperforms task-specific models especially with limited training data (Mass General Brigham & Harvard Medical School, 129+ stars)
+- [Zapbench (Google Research, 2025)](https://github.com/google-research/zapbench) - The Zebrafish Activity Prediction Benchmark for forecasting cellular-resolution neural activity throughout an entire vertebrate brain, combining light-sheet microscopy calcium-imaging data, forecasting tasks, and evaluation tools to advance whole-brain neural dynamics modeling (77+ stars, Apache 2.0)
 
 #### Computational Pathology & Digital Pathology
 - [UNI (Nature Medicine 2024)](https://github.com/mahmoodlab/UNI) - General-purpose pathology foundation model pretrained on 100K+ diagnostic whole-slide images across 20 major tissue types, achieving state-of-the-art transfer learning across 30+ clinical tasks and serving as a universal feature extractor for digital pathology (Mahmood Lab, 722+ stars)
@@ -706,6 +711,7 @@ validated: false
 #### Materials Discovery
 - [GNoME](https://github.com/google-deepmind/materials_discovery) - DeepMind's graph neural network for materials exploration, discovering 2.2M new crystal structures (380K most stable) equivalent to 800 years of traditional research, with 520K+ materials dataset open-sourced (Nature 2023)
 - [FAIRChem (OMat24)](https://github.com/FAIR-Chem/fairchem) - Meta's comprehensive ML ecosystem for materials/chemistry with 118M+ DFT calculations, EquiformerV2 models achieving top Matbench Discovery performance
+- [Skala 1.1 (Microsoft Research, 2026)](https://github.com/microsoft/skala) - Neural network-based exchange-correlation functional for density functional theory (DFT) that surpasses state-of-the-art hybrid functionals in accuracy for main-group thermochemistry, kinetics, and non-covalent interactions at semi-local DFT cost; includes PySCF/GPU4PySCF/ASE bindings and C++/Fortran integrations (248+ stars, MIT License)
 - [All-atom Diffusion Transformers (ADiT)](https://github.com/facebookresearch/all-atom-diffusion-transformer) - Unified latent diffusion transformer that jointly generates periodic crystals and non-periodic molecules, scaling to 500M parameters with SOTA results on QM9, MP20, and GEOM-DRUGS (Meta FAIR, ICML 2025, 310+ stars)
 - [JARVIS](https://github.com/usnistgov/jarvis) - NIST's open-source platform for data-driven atomistic materials design, integrating DFT datasets (JARVIS-DFT), machine learning property prediction (JARVIS-ML), and a comprehensive leaderboard for benchmarking materials AI methods across the periodic table (384+ stars)
 - [NVIDIA ALCHEMI Toolkit](https://github.com/NVIDIA/nvalchemi-toolkit) - Developer toolkit for accelerating training and inference for AI in chemistry and material science, providing optimized GPU-accelerated workflows for molecular and materials machine learning (NVIDIA, 2026)
@@ -744,6 +750,7 @@ validated: false
 - [Neural ODEs](https://github.com/rtqichen/torchdiffeq) - Differential equations with neural networks
 - [Physics-Informed Neural Networks](https://github.com/maziarraissi/PINNs) - Physics-constrained ML
 - [EquiformerV2](https://github.com/atomicarchitects/equiformer_v2) - Improved equivariant Transformer for 3D atomic graphs (ICLR2024)
+- [EquiformerV3](https://github.com/atomicarchitects/equiformer_v3) - Scaling efficient, expressive, and general SE(3)-equivariant graph attention transformers for atomic systems and machine-learned interatomic potentials (MIT License, 2026)
 - [Equiformer](https://github.com/atomicarchitects/equiformer) - Equivariant graph attention Transformer (ICLR2023)
 - [TORAX](https://github.com/google-deepmind/torax) - Differentiable tokamak core transport simulator for fusion energy research, coupling PDE solvers with JAX auto-differentiation and neural-network surrogates for fast forward modelling, pulse-design, and trajectory optimization (Google DeepMind, Apache 2.0)
 - [DiffPhysDrone (Nature Machine Intelligence 2025)](https://github.com/HenryHuYu/DiffPhysDrone) - First real quadrotor robot trained end-to-end with differentiable physics for vision-based agile flight, bridging simulation-based learning and real-world deployment with physics-informed neural network controllers (558+ stars)
@@ -804,6 +811,7 @@ validated: false
 - [FarmVibes.AI](https://github.com/microsoft/farmvibes-ai) - Multi-modal geospatial ML platform for agriculture and sustainability, fusing satellite imagery (RGB, SAR, multispectral), drone imagery, weather data, and sensor data for crop identification, carbon footprint estimation, and microclimate prediction (Microsoft Research, MIT License)
 - [PlantCV](https://github.com/danforthcenter/plantcv) - Open-source image analysis toolkit for high-throughput plant phenotyping, extracting morphological, color, and texture traits from RGB, hyperspectral, and thermal imagery with modular Python workflows for crop improvement, stress detection, and plant biology research (Donald Danforth Plant Science Center, 795+ stars, MPL-2.0)
 - [Virdis](https://github.com/Thanas-R/Virdis) - Satellite-powered agricultural and land analytics platform combining Sentinel-2 imagery, Google Earth Engine processing, real-time weather data, soil science databases, and AI-driven crop planning into a unified web dashboard (145+ stars, AGPL-3.0, 2026)
+- [Agribound](https://github.com/montimaj/agribound) - AI-powered field boundary delineation toolkit combining satellite foundation models, embeddings, and global training data for accurate agricultural parcel/field boundary mapping, with Google Earth Engine integration and PyPI distribution (84+ stars, Apache 2.0, 2026)
 
 #### Ecological Modeling
 - [BioSimulators](https://github.com/biosimulators/Biosimulators) - Biological simulation tools
@@ -831,6 +839,9 @@ validated: false
 ### Structural & Civil Engineering
 - [StructureClaw](https://github.com/structureclaw/structureclaw) - AI-assisted structural engineering workspace for AEC workflows: natural language to structural model, analysis, code-check, and report (171+ stars, MIT License, 2026)
 
+### Construction & Built Environment Management
+- [OpenConstructionERP](https://github.com/datadrivenconstruction/OpenConstructionERP) - Open-source construction ERP with AI-powered cost matching, BOQ generation, and PDF/CAD/BIM takeoff; 42 regional catalogues, 21 languages, 71 modules (DataDrivenConstruction, 717+ stars, AGPL-3.0, 2026)
+
 ### Architectural Design & BIM
 - [Aedifex](https://github.com/TangSY/aedifex) - Open-source 3D architectural editor with an AI design assistant; build floor plans with walls, doors, windows, and furniture using natural language, with real-time WebGPU-powered previews (TangSY, 59+ stars, MIT License, 2026)
 
@@ -858,6 +869,7 @@ validated: false
 ### Domain-Specific Models
 - [ESM](https://github.com/facebookresearch/esm) - Protein language models
 - [BioNeMo Framework](https://github.com/NVIDIA/bionemo-framework) - NVIDIA's open-source platform for building and adapting biological AI models at scale, bundling ESM-2, Geneformer, MolMIM and DNA embedding models with recipes for single-GPU to multi-node training (2025)
+- [BioNeMo Recipes (NVIDIA)](https://github.com/NVIDIA-BioNeMo/bionemo-recipes) - TransformerEngine-accelerated checkpoints and training recipes for scaling biological foundation models (ESM-2, AMPLIFY, Geneformer, CodonFM) from single-GPU prototyping to multi-node FSDP training with FP8/MXFP8/NVFP4 precision, compatible with PyTorch, HF Accelerate, and PyTorch Lightning, plus sparse-autoencoder interpretability tools for biological foundation models (851+ stars, 2026)
 - [IBM FM4M](https://github.com/IBM/materials) - IBM's open foundation model family for materials and chemistry, covering SMILES, SELFIES, molecular graphs, 3D atom positions, and electron density grids, with a unified toolkit for representation learning and downstream prediction/generation (Apache 2.0, 2024-2025)
 - [ChemGPT](https://huggingface.co/ncfrey/ChemGPT-1.2B) - Chemistry-focused language model
 - [BioGPT](https://github.com/microsoft/BioGPT) - Biomedical text generation