hmacdope
Senior Software Scientist @asapdiscovery @choderalab
ASAP Discovery / @omsfMemorial Sloan Kettering Cancer Center
hmacdope's Stars
fastai/fastai
The fastai deep learning library
Mozilla-Ocho/llamafile
Distribute and run LLMs with a single file.
jart/cosmopolitan
build-once run-anywhere c library
pybind/pybind11
Seamless operability between C++11 and Python
SawyerHood/draw-a-ui
Draw a mockup and generate html for it
deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
google-deepmind/graphcast
yuezk/GlobalProtect-openconnect
A GlobalProtect VPN client for Linux, written in Rust, based on OpenConnect and Tauri, supports SSO with MFA, Yubikey, and client certificate authentication, etc.
bebop/poly
A Go package for engineering organisms.
NVIDIA/NeMo-Aligner
Scalable toolkit for efficient model alignment
uw-ipd/RoseTTAFold2NA
RoseTTAFold2 protein/nucleic acid complex prediction
crest-lab/crest
CREST - A program for the automated exploration of low-energy molecular chemical space.
Gallicchio-Lab/AToM-OpenMM
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
not-matthias/include_crypt
Safely embed files into your binary.
polaris-hub/polaris
Foster the development of impactful AI models in drug discovery.
openmm/NNPOps
High-performance operations for neural network potentials
rapidsai/docker
Dockerfile templates for creating RAPIDS Docker Images
datamol-io/medchem
Molecular filtering for drug discovery.
Psivant/femto
A comprehensive toolkit for predicting free energies
asapdiscovery/asapdiscovery
Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
SimonBoothroyd/smee
Differentiably evaluate energies using SMIRNOFF force fields
choderalab/chiron
Differentiable Markov Chain Monte Carlo
robase/fhbcalc
Gov. scheme eligibility & homeloan calculator for australian first home buyers - https://firsthomebuyer.help
Becksteinlab/zarrtraj
zarrtraj MDAKit for @MDAnalysis
SimonBoothroyd/descent-ff
Scripts for fitting force fields using descent
robase/armview-vscode
Graphically display ARM templates in VS Code with an interactive map style view
robase/bicep
Bicep is a declarative language for describing and deploying Azure resources
robase/bicepparser
A Peggyjs grammar/parser for Azure Bicep
robase/peggy
Peggy: Parser generator for JavaScript
robase/remix-esm-workaround