Pinned Repositories
3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
aizynthfinder
A tool for retrosynthetic planning
ashtawy.github.io
Hossam Ashtawy's Personal Page
awesome-graph-transformer
Papers about graph transformers.
CarND-Advanced-Lane-Lines
CarND-Capstone
ROS meets Lincoln MKZ: Driving by wire with ROS and TensorFlow
DCMFlow
Nested Logit Model with TensorFlow
druggpt
DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins
model_predictive_control_in_tensorflow
Implementing Model Predictive Control In Python (Tensorflow) and C++ (Eigen & Ipopt)
task-specific_scoring_functions
ashtawy's Repositories
ashtawy/3DInfomax
Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.
ashtawy/pQSAR
Massively multitask stacked model for predicting activity of thousands of biological assays
ashtawy/IGN
InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions
ashtawy/MONN
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
ashtawy/reinvent-scaffold-decorator
A SMILES-based encoder-decoder architecture for molecular scaffold decoration
ashtawy/pycox
Survival analysis with PyTorch
ashtawy/pytudes
Python programs to practice or demonstrate skills.
ashtawy/DCMFlow
Nested Logit Model with TensorFlow
ashtawy/CarND-Capstone
ROS meets Lincoln MKZ: Driving by wire with ROS and TensorFlow
ashtawy/CarND-Semantic-Segmentation
Identifying roads in images using Fully Convolutional Neural Networks
ashtawy/deeptraffic
Deep Reinforcement Learning for Highway Traffic
ashtawy/CarND-Path-Planning-Project
Create a path planner that is able to navigate a car safely around a virtual highway
ashtawy/CarND-MPC-Project
Model Predictive Control for Autonomous Vehicles
ashtawy/model_predictive_control_in_tensorflow
Implementing Model Predictive Control In Python (Tensorflow) and C++ (Eigen & Ipopt)
ashtawy/CarND-PID-Control-Project
PID Controller to drive a vehicle autonomously
ashtawy/CarND-Advanced-Lane-Lines
ashtawy/CarND-Behavioral-Cloning-P3
ashtawy/Traffic-Sign-Classifier-Project
Classify Traffic Signs.
ashtawy/CarND-Kidnapped-Vehicle-Project
Vehicle Localization Using Particle Filter
ashtawy/CarND-Unscented-Kalman-Filter-Project
Unscented Kalman Filter for Sensor Fusion
ashtawy/CarND-Extended-Kalman-Filter-Project
The use of kalman filter to estimate the state of a moving object of interest with noisy lidar and radar measurements.
ashtawy/multi-qvina
Accurately speed up AutoDock Vina and multiple ligands at a time.
ashtawy/CarND-Vehicle-Detection
ashtawy/task-specific_scoring_functions