Find open-source science resources

Python wrapper for [bedtools](https://github.com/arq5x/bedtools).

Diabetica: Adapting Large Language Model to Enhance Multiple Medical Tasks in Diabetes Care and Management

This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks (biobb) REST API. The particular example used is the Lysozyme protein (PDB code 1AKI).

PPTStab: Prediction and Designing of thermostable proteins with a desired melting temperature

INDUS-Retriever-small (previously nasa-smd-ibm-st.38m) is a Bi-encoder sentence transformer model, that is fine-tuned from distilled version of nasa-smd-ibm-v0.1 encoder model. it is a smaller version of nasa-smd-ibm-st with better performance, using fewer parameters (shown below).

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.

Neural optical understanding for academic documents, transforms scientific PDFs to Markdown with mathematical formula support

Generate comprehensive reviews from arXiv papers and convert to blog posts

Microsoft's AI-powered ab initio biomolecular dynamics simulation achieving quantum-mechanical accuracy for proteins with 10,000+ atoms, orders of magnitude faster than DFT using protein fragmentation and ML force fields (Nature 2024)

Equivariant graph attention Transformer (ICLR2023)

Extension of ProteinMPNN for protein sequence design in the context of small-molecule ligands, metal ions, and nucleic acids, enabling binding site engineering and co-factor redesign (Baker Lab)

Physics-AI hybrid modeling for fine-grained weather forecasting (NeurIPS'24)

Geometric deep learning model predicting transcriptional outcomes of novel single- and multi-gene perturbations using gene–gene knowledge graphs, 40% higher precision than prior methods on combinatorial perturbation prediction (Stanford, Nature Biotechnology 2024)

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

Open-source medical large language model for complex clinical reasoning, extending the o1 long-chain-of-thought paradigm to biomedical question answering and diagnostic inference (FreedomIntelligence, 1.3K+ stars)

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Model from this repo. Model used to be in Dropbox/GDrive, leading to issues with download

# FremyCompany/BioLORD-2023 This model was trained using BioLORD, a new pre-training strategy for producing meaningful representations for clinical sentences and biomedical concepts.

A module for solving and visualizing the Schrödinger equation.

Comprehensive toolkit for high-quality PDF content extraction with layout detection, formula recognition, and OCR

# MMedS-Llama3 💻Github Repo 🖨️arXiv Paper

### Welcome to Nidum! At Nidum, we believe in pushing the boundaries of innovation by providing advanced and unrestricted AI models for every application. Dive into our world of possibilities and experience the freedom of Nidum-Llama-3.2-3B-Uncensored, tailored to meet diverse needs with…

Democratizing AlphaFold3: PyTorch reimplementation to accelerate protein structure prediction research

Single-cell transformer foundation model pretrained on 104M human transcriptomes via masked gene prediction, enabling transfer learning for cell type classification, gene network analysis, and in silico perturbation with limited labeled data (Nature 2023, V2 2024)

We identified and fixed an issue related to a wrong permutation of some projections, which affects generation quality. To use the new model revision, please load as follows:

This model aims to be a base template for new models. It has been generated using this raw template.

Large-scale biomolecular instruction dataset for chemistry/biology LLMs (ICLR2024)

Large Language Models for automated open-domain scientific hypotheses discovery (ACL 2024, ICML Best Poster)

Descriptor computation(chemistry) and (optional) storage for machine learning.

Tools for adding mutations to existing `.bam` files, used for testing mutation callers.

Indus (previously known as nasa-smd-ibm-v0.1) is a RoBERTa-based, Encoder-only transformer model, domain-adapted for NASA Science Mission Directorate (SMD) applications. It's fine-tuned on scientific journals and articles relevant to NASA SMD, aiming to enhance natural language technologies like…

Indus-Retriever (nasa-smd-ibm-st-v2) is a Bi-encoder sentence transformer model, that is fine-tuned from nasa-smd-ibm-v0.1 encoder model. it is an updated version of nasa-smd-ibm-st with better performance (shown below). It's trained with 271 million examples along with a domain-specific dataset of…

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.

> [!IMPORTANT] > Better using New version of ChemLLM! > AI4Chem/ChemLLM-7B-Chat-1.5-DPO or AI4Chem/ChemLLM-7B-Chat-1.5-SFT

Chemma-2B is a continually pretrained gemma-2b model for organic molecules. It is pretrained on 40B tokens covering 110M+ molecules from PubChem as well as their chemical properties (molecular weight, synthetic accessibility score, drug-likeness etc.) and similarities (Tanimoto distance between…

Universal chart comprehension and reasoning model

Utility that performs integrated analyses of 'gene' data (a set of genes or other genomic features) with 'peak' data (a set of regions, for example ChIP peaks) to identify the genes nearest to each peak, and vice versa.

Transform arXiv research papers into engaging presentations and YouTube-ready videos

Batteries included genomic analysis pipeline for variant and RNA-Seq analysis, structural variant calling, annotation, and prediction.

Materials informatics benchmark

Convert PDF files into editable slides with three lines of code

Structure-aware prefix adaptation for integrating LLMs with knowledge graphs (ACM MM 2024)

Powerful and flexible machine learning platform for drug discovery, providing comprehensive tools for molecular property prediction, generative models, knowledge graph reasoning, and reaction prediction with PyTorch backend (1.5K+ stars)

ChemFIE-SA is a BERT-like sequence classifier for predicting synthesis accessibility given a SELFIES string of a compound, fine-tuned from gbyuvd/chemselfies-base-bertmlm on DeepSA's expanded dataset from Wang et al. 2023.

This model is a BERT-like sequence classifier for 221 human protein drug targets, fine-tuned from gbyuvd/chemselfies-base-bertmlm on a dataset derived ChemBL34 (Zdrazil et al. 2023). It predicts potential drug targets using chemical structures represented as SELFIES (Self-Referencing Embedded…

Resources on ChIP-seq data which include papers, methods, links to software, and analysis.

The Mistral-DNA-v1-138M-bacteria Large Language Model (LLM) is a pretrained generative DNA text model with 17.31M parameters x 8 experts = 138.5M parameters. It is derived from Mistral-7B-v0.1 model, which was simplified for DNA: the number of layers and the hidden size were reduced.

Model Card for "medllama" ---------------------------

UNIX-style FASTA manipulation tools.

This is a ReactionT5 pre-trained to predict the products of reactions.