Lists (4)
Stars
A graph neural network model for predicting Cas1 protein.
Pocket Flow: Codebase to Tutorial
De novo peptide sequencing with InstaNovo: Accurate, database-free peptide identification for large scale proteomics experiments
toolkit for prediction pKa values of small molecules via graph convolutional networks
BioReason: Incentivizing Multimodal Biological Reasoning within a DNA-LLM Model
Lightweight coding agent that runs in your terminal
Scaling up spatial transcriptomics for large-sized tissues: uncovering cellular-level tissue architecture beyond conventional platforms
Python interactive dashboards for learning data science
Computing RESP charges of ligands in the local enviroment using QMMM
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
This repository contains the code used for distillation and fine-tuning of compact biomedical transformers that have been introduced in the paper "On The Effectiveness of Compact Biomedical Transfo…
A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Refined and extended version of ChemTS
EasyDockVina is a free tool to perform for receptor with multiple (batch) ligand docking with AutoDockVina.
The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑🔬
MolMiner, a generative model for fragment-based, 3D-aware, inverse conditional molecular design
An overview of algorithms for estimating pseudotime in single-cell RNA-seq data
HealthVivo / scCancer
Forked from wguo-research/scCancerA package for automated processing of single cell RNA-seq data in cancer
Generalizable AI predicts immunotherapy outcomes across cancers and treatments
FINCHES (First-principle Interactions via CHEmical Specificity) - Python package for predicting chemically-specific molecular interactions for IDRs
As part of the Blaise Pascal's [Re]Generative Quantum Challenge, we attempt to use neutral atoms to speed up molecular docking.
Single-cell analysis in Python. Scales to >100M cells.