Stars
Uni-FEP-Benchmarks is a benchmark dataset designed to systematically evaluate Uni-FEP.
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
Open source code for AlphaFold 2.
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
A C implementation of elliptic-curve-based Direct Anonymous Attestation (DAA) signatures. Created to support the Xaptum Edge Network Fabric, an IoT Network Solution.
Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.
Solvation Structure and Thermodynamic Mapping
pyrelational is a python active learning library for rapidly implementing active learning pipelines from data management, model development (and Bayesian approximation), to creating novel active le…
Differentiable, Hardware Accelerated, Molecular Dynamics
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
QUICK: A GPU-enabled ab intio quantum chemistry software package
MoonGen is a fully scriptable high-speed packet generator built on DPDK and LuaJIT. It can saturate a 10 Gbit/s connection with 64 byte packets on a single CPU core while executing user-provided Lu…
OSS-Fuzz - continuous fuzzing for open source software.
A collection of common (interesting) cryptographic mistakes and learning resources.
Pure-Rust traits and utilities for constant-time cryptographic implementations.
Microsoft Quantum Development Kit Samples
Q# compiler, command line tool, and Q# language server
eBPF/XDP-based software framework for fast network services running in the Linux kernel.
Quantum Algorithms & Applications (**DEPRECATED** since April 2021 - see readme for more info)