Search Packages

prospr

Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.

alphafold2-pytorch

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

equiformer-pytorch

Equiformer - SE3/E3 Graph Attention Transformer for Molecules and Proteins

refua

Python drug discovery toolkit for Boltz2 structure and affinity prediction, BoltzGen binder and antibody design, and TxGemma ADMET integration in one API.

tr-rosetta-pytorch

Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design

refua-clinical

PK/PD-driven virtual patient and clinical trial simulation toolkit for Refua.

invariant-point-attention

Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module

refua-regulatory

Regulatory and audit evidence packaging for Refua campaign decisions.

refua-data

Data ingestion, caching, and parquet materialization for the Refua drug discovery ecosystem.

refua-mcp

MCP server for Refua Boltz2 folding/affinity and BoltzGen design workflows.

clawcures

Campaign orchestration layer built on OpenClaw planning and refua-mcp execution.

intellifold

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

refua-studio

Web control plane for Refua campaign orchestration and scientific execution.

refua-deploy

Deployment automation for Refua campaign workloads across private and public clouds.

refua-bench

Benchmark and regression gate tooling for Refua workflows.

refua-wetlab

Unified API layer for wet lab automation across multiple providers.

triangle-multiplicative-module

Implementation of the Triangle Multiplicative module, used in Alphafold2 as an efficient way to mix rows or columns of a 2d feature map, as a standalone package for Pytorch

hpsandbox

a package of Python modules and example scripts for experimenting with the two-dimensional HP lattice model of Dill and Chan.