emarinri's Stars
bregman-arie/devops-exercises
Linux, Jenkins, AWS, SRE, Prometheus, Docker, Python, Ansible, Git, Kubernetes, Terraform, OpenStack, SQL, NoSQL, Azure, GCP, DNS, Elastic, Network, Virtualization. DevOps Interview Questions
stitionai/devika
Devika is an Agentic AI Software Engineer that can understand high-level human instructions, break them down into steps, research relevant information, and write code to achieve the given objective. Devika aims to be a competitive open-source alternative to Devin by Cognition AI.
benfred/py-spy
Sampling profiler for Python programs
stas00/ml-engineering
Machine Learning Engineering Open Book
rq/rq
Simple job queues for Python
openai/point-e
Point cloud diffusion for 3D model synthesis
ashishpatel26/Tools-to-Design-or-Visualize-Architecture-of-Neural-Network
Tools to Design or Visualize Architecture of Neural Network
microsoft/BioGPT
NVIDIA/warp
A Python framework for high performance GPU simulation and graphics
snap-stanford/pretrain-gnns
Strategies for Pre-training Graph Neural Networks
e3nn/e3nn
A modular framework for neural networks with Euclidean symmetry
mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
mir-group/allegro
Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
astrofrog/fortranlib
Collection of personal scientific routines in Fortran :book:
amorehead/awesome-molecular-generation
Awesome papers related to generative molecular modeling and design.
pre-commit/identify
File identification library for Python
jameskermode/f90wrap
F90 to Python interface generator with derived type support
jacobwilliams/pyplot-fortran
For generating plots from Fortran using Python's matplotlib.pyplot 📈
openmm/spice-dataset
A collection of QM data for training potential functions
MolSSI/QCFractal
A distributed compute and database platform for quantum chemistry.
globus/globus-compute
Globus Compute: High Performance Function Serving for Science
PrincetonUniversity/removing_tedium
aspuru-guzik-group/Tartarus
A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
MDAnalysis/solvation-analysis
A comprehensive tool for analyzing liquid solvation structure.
Exscientia/physicsml
A package for all physics based/related models
MaginnGroup/Cassandra
Cassandra is a Monte Carlo package to conduct atomistic simulations.
kjappelbaum/pyepal
Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
PrincetonUniversity/advanced-command-line
troycomi/snakemake-training
Increasingly complete example bioinformatics workflow
troycomi/intermediate-vim
Workshop on getting better at vim