1.deepchem / deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
- materials-science
- hacktoberfest
Ranked by Attention Score: stars gained over the last 180 complete days
41 repositories by Attention Score · May 9, 2026 – Nov 4, 2026 (UTC)
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Official repository for the Boltz biomolecular interaction models
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
UCE is a zero-shot foundation model for single-cell gene expression data
Precision Medicine Knowledge Graph (PrimeKG)
GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations
Official repository for the ProteinGym benchmarks
Genomic Pretrained Network - GPN, GPN-MSA, PhyloGPN, GPN-Star
This package contains deep learning models and related scripts for RoseTTAFold
A tool for semi-automatic cell type classification
Cloud-native genomic dataframes and batch computing
BulkFormer: A large-scale foundation model for human bulk transcriptomes
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.
Generation of protein sequences and evolutionary alignments via discrete diffusion models
Graph-linked unified embedding for single-cell multi-omics data integration
Run scripts, explore your genome, and get personalized explanations — all in natural dialogue.
Lightweight, super fast C/C++ (& Python) library for sequence alignment using edit (Levenshtein) distance.
CASSIA: A Multi-Agent LLM-Based Single-Cell Cell Type Annotation Framework
A Go package for engineering organisms.
A Practical and Efficient NCBI Taxonomy Toolkit, also supports creating NCBI-style taxdump files for custom taxonomies like GTDB/ICTV
Code for "Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution", NeurIPS 2022.
C++ library and cmdline tools for parsing and manipulating VCF files with python and zig bindings
A tool for cell instance aware segmentation in densely packed 3D volumetric images
MCP server for spatial transcriptomics analysis through natural language interfaces.
The repository host gives no description.
Interpretable bilinear attention network with domain adaptation improves drug-target prediction.
Data visualisation web components for the life sciences.
The repository host gives no description.
PyTorch implementation of the MIDAS algorithm for single-cell multimodal data integration (Nature Biotechnology 2024).
Validated, scalable, community developed variant calling, RNA-seq and small RNA analysis
OpenBioLink is a resource and evaluation framework for evaluating link prediction models on heterogeneous biomedical graph data.
Adaptive Graph Attention Auto-encoder for Spatial Domain Identification of Spatial Transcriptomics
The repository host gives no description.
CancerFoundation: A single-cell RNA sequencing foundation model to decipher drug resistance in cancer
Predicting Cell Health with Morphological Profiles