Pinned Repositories
aiida-core
The official repository for the AiiDA code
alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
amazon-personalize-samples
Notebooks and examples on how to onboard and use various features of Amazon Personalize
amazon-sagemaker-examples
Example notebooks that show how to apply machine learning, deep learning and reinforcement learning in Amazon SageMaker
amazon-sagemaker-script-mode
Amazon SageMaker Script Mode examples
amplify-video
An open source plugin for the AWS Amplify Command Line Interface that makes it easy to deploy video services and integrate them into your applications.
AutoDock-Vina
AutoDock Vina
workshop
AI and Machine Learning with Kubeflow, Amazon EKS, and SageMaker
paulrigor's Repositories
paulrigor/aiida-core
The official repository for the AiiDA code
paulrigor/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
paulrigor/AutoDock-Vina
AutoDock Vina
paulrigor/backstage
Backstage is an open platform for building developer portals
paulrigor/ColabFold
Making Protein folding accessible to all!
paulrigor/conditional-flow-matching
TorchCFM: a Conditional Flow Matching library
paulrigor/cp2k-mkrack
Quantum chemistry and solid state physics software package
paulrigor/d2l-en
Dive into Deep Learning: an interactive deep learning book with code, math, and discussions
paulrigor/deep-learning-containers
AWS Deep Learning Containers (DLCs) are a set of Docker images for training and serving models in TensorFlow, TensorFlow 2, PyTorch, and MXNet.
paulrigor/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
paulrigor/django-markdown-editor
Awesome Django Markdown Editor, supported for Bootstrap & Semantic-UI
paulrigor/docker-ghidra
Ghidra Client/Server Docker Image
paulrigor/exachem
Open Source Exascale Computational Chemistry Software
paulrigor/GauXC
GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.
paulrigor/harmonix
A developer portal to meet your Enterprise needs. Fast, secure, and at-scale.
paulrigor/langchain
🦜🔗 Build context-aware reasoning applications
paulrigor/LISA
LLM inference solution for Amazon Dedicated Cloud (LISA).
paulrigor/LLMTest_NeedleInAHaystack
Doing simple retrieval from LLM models at various context lengths to measure accuracy
paulrigor/mlops-e2e
MLOps End-to-End Example using Amazon SageMaker Pipeline, AWS CodePipeline and AWS CDK
paulrigor/NeMo
NeMo: a framework for generative AI
paulrigor/Open-Catalyst-Dataset
Workflow for creating and analyzing the Open Catalyst Dataset
paulrigor/open-on-demand-on-aws
paulrigor/openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
paulrigor/optimum-neuron
Easy, fast and very cheap training and inference on AWS Trainium and Inferentia chips.
paulrigor/pandas
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
paulrigor/ProteinMPNN
Code for the ProteinMPNN paper
paulrigor/PTMPSI
paulrigor/pytorch-lightning
Pretrain, finetune and deploy AI models on multiple GPUs, TPUs with zero code changes.
paulrigor/terraform-aws-gitlab-runner-scale
Gitlab runners created via Lambda check
paulrigor/Vina-GPU-2.0
Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.