hmacdope
Senior Software Scientist @asapdiscovery @choderalab
ASAP Discovery / @omsfMemorial Sloan Kettering Cancer Center
hmacdope's Stars
robase/armview-vscode
Graphically display ARM templates in VS Code with an interactive map style view
robase/peggy
Peggy: Parser generator for JavaScript
robase/bicep
Bicep is a declarative language for describing and deploying Azure resources
robase/bicepparser
A Peggyjs grammar/parser for Azure Bicep
robase/remix-esm-workaround
robase/fhbcalc
Gov. scheme eligibility & homeloan calculator for australian first home buyers - https://firsthomebuyer.help
coiled/tpch
Results from TPC-H Benchmarks
public-apis/public-apis
A collective list of free APIs
OpenFreeEnergy/feflow
Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
ZachGoldberg/Startup-CTO-Handbook
The Startup CTO's Handbook, a book covering leadership, management and technical topics for leaders of software engineering teams
ByteByteGoHq/system-design-101
Explain complex systems using visuals and simple terms. Help you prepare for system design interviews.
ashvardanian/SimSIMD
Up to 200x Faster Dot Products & Similarity Metrics — for Python, Rust, C, JS, and Swift, supporting f64, f32, f16 real & complex, i8, and bit vectors using SIMD for both AVX2, AVX-512, NEON, SVE, & SVE2 📐
pablo-arantes/Cloud-Bind
Cloud-based Drug Binding Structure Prediction
frog2000/Spacial-Score
A Comprehensive Topological Complexity Indicator for Small Molecules
amd/openmm-hip
ROCm/HIP
HIP: C++ Heterogeneous-Compute Interface for Portability
DTolm/VkFFT
Vulkan/CUDA/HIP/OpenCL/Level Zero/Metal Fast Fourier Transform library
JuDFTteam/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
matteoferla/Fragment-hit-follow-up-chemistry
A collection of notebooks and scripts for the prediction of follow-up compounds in
choderalab/modelforge
Infrastructure to implement and train NNPs
biotite-dev/biotite
A comprehensive library for computational molecular biology
labmlai/annotated_deep_learning_paper_implementations
🧑🏫 60+ Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, sophia, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠
sirmarcel/glp
tools for graph-based machine-learning potentials in jax
ROCm/ROCm
AMD ROCm™ Software - GitHub Home
open-reaction-database/ord-schema
Schema for the Open Reaction Database
wjakob/nanobind
nanobind: tiny and efficient C++/Python bindings
datryllic/alchemiscale-k8s
alchemiscale deployment for kubernetes
rdkit/rdkit
The official sources for the RDKit library
jessfraz/dockerfiles
Various Dockerfiles I use on the desktop and on servers.
aws/amazon-sagemaker-examples
Example 📓 Jupyter notebooks that demonstrate how to build, train, and deploy machine learning models using 🧠 Amazon SageMaker.