coltonbh's Stars
whitead/dmol-book
Deep learning for molecules and materials book
tiangolo/poetry-version-plugin
Poetry plugin for dynamically extracting the package version from a __version__ variable or a Git tag.
cupy/cupy
NumPy & SciPy for GPU
hebrewsnabla/S-O-MQC-HW
Solutions for Modern Quantum Chemistry, Szabo & Ostlund
davpoolechem/JuliaChem.jl
A research-grade quantum chemistry program written in Julia
NVIDIA/cuda-samples
Samples for CUDA Developers which demonstrates features in CUDA Toolkit
PyO3/pyo3
Rust bindings for the Python interpreter
lumol-org/lumol
Universal extensible molecular simulation engine
pyscf/pyscf
Python module for quantum chemistry
nginxinc/docker-nginx
Official NGINX Dockerfiles
mypyc/mypyc
Compile type annotated Python to fast C extensions
docker-mailserver/docker-mailserver
Production-ready fullstack but simple mail server (SMTP, IMAP, LDAP, Antispam, Antivirus, etc.) running inside a container.
foxlet/macOS-Simple-KVM
Tools to set up a quick macOS VM in QEMU, accelerated by KVM.
roman-ellerbrock/wavepacket-dynamics
maziarraissi/PINNs
Physics Informed Deep Learning: Data-driven Solutions and Discovery of Nonlinear Partial Differential Equations
google-deepmind/alphafold
Open source code for AlphaFold.
coltonbh/fastapi
FastAPI framework, high performance, easy to learn, fast to code, ready for production
virtualzx-nad/geodesic-interpolate
Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
ZimmermanGroup/pyGSM
Thermal and photochemical reaction path optimization and discovery
DeanWay/fastapi-versioning
api versioning for fastapi web applications
NVIDIA/enroot
A simple yet powerful tool to turn traditional container/OS images into unprivileged sandboxes.
cclib/cclib
Parsers and algorithms for computational chemistry logfiles
dtolnay/cxx
Safe interop between Rust and C++
aio-libs/aiohttp
Asynchronous HTTP client/server framework for asyncio and Python
encode/httpx
A next generation HTTP client for Python. 🦋
fastapi/fastapi
FastAPI framework, high performance, easy to learn, fast to code, ready for production
kubernetes/examples
Kubernetes application example tutorials
fastapi/typer
Typer, build great CLIs. Easy to code. Based on Python type hints.
jd/tenacity
Retrying library for Python
PatrickHallek/automated-irrigation-system
This is the software of an open source automated irrigation system. The complete setup including hardware can be found in the README.