AlgorithmDemo4Demo
☆27Mar 22, 2024Updated last year
Alternatives and similar repositories for AlgorithmDemo4Demo
Users that are interested in AlgorithmDemo4Demo are comparing it to the libraries listed below
Sorting:
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- AlphaGo代码☆11Apr 25, 2016Updated 9 years ago
- Berkeley DeepRL Homework☆11Aug 13, 2017Updated 8 years ago
- Exploring protein-ligand binding affinity prediction with electron density-based geometric deep learning☆12Jul 5, 2023Updated 2 years ago
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 6 years ago
- Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and ba…☆11Nov 26, 2022Updated 3 years ago
- ☆10Jul 5, 2021Updated 4 years ago
- Graph Convolutional Networks (GCNs)☆10Nov 29, 2017Updated 8 years ago
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆11Sep 19, 2024Updated last year
- Transform data from RCSB Protein Data Bank for secondary structure prediction☆12Feb 20, 2019Updated 7 years ago
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 2 years ago
- MCTS-RNA is a computational tool for solving RNA inverse folding problem with controlling the GC-content of the RNA sequence very precise…☆12Apr 3, 2017Updated 8 years ago
- Docking benchmark 5 - cleaned and ready to use for HADDOCK☆14Nov 17, 2025Updated 3 months ago
- A mini-framework to build and train neural networks for molecular biology.☆10Mar 23, 2018Updated 7 years ago
- Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections☆14Dec 3, 2024Updated last year
- A distributed framework based on Monte Carlo tree search for accelerating molecular discovery.☆14Mar 20, 2018Updated 7 years ago
- gromacs(Protein-Ligand Complex)☆11Sep 20, 2022Updated 3 years ago
- Recent application of graph neural network in drug discovery☆14Mar 19, 2020Updated 5 years ago
- ☆13May 26, 2022Updated 3 years ago
- ☆11Jun 30, 2020Updated 5 years ago
- ☆16Feb 1, 2022Updated 4 years ago
- ☆12Jul 31, 2020Updated 5 years ago
- Exercises for TUM Parallel Programming Course☆13May 15, 2019Updated 6 years ago
- Example Code for the Conditional Action Trees Paper☆12May 24, 2021Updated 4 years ago
- PharML is a framework for predicting compound affinity for protein structures. It utilizes a novel Molecular-Highway Graph Neural Network…☆13May 8, 2020Updated 5 years ago
- ☆10Mar 6, 2018Updated 7 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 4 years ago
- 有问题，在这提！☆13Sep 19, 2019Updated 6 years ago
- A squad movement planning library for StarCraft AI using Monte Carlo Tree Search and Negamax☆14Jan 1, 2019Updated 7 years ago
- A wide array of parallel programs using CUDA, OpenCL, MPI, OpenMP and pthreads.☆14Jan 6, 2015Updated 11 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- Using (deep) reinforcement_learning algorithm to practice on OpenAI Gym, Unity ML-Agents,and other virtual environments. Using Python ,Py…☆16Jun 17, 2020Updated 5 years ago
- Scripts for running lsc model on other datasets☆13May 25, 2019Updated 6 years ago
- Reinforcement Leanring Algorithms Trained with Unity☆13Apr 26, 2019Updated 6 years ago
- ☆16Apr 20, 2021Updated 4 years ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated 10 months ago
- ☆14Jun 4, 2021Updated 4 years ago
- ☆14Jan 11, 2022Updated 4 years ago
- Revisiting Peng's Q(lambda) for Modern Reinforcement Learning☆15Jul 23, 2021Updated 4 years ago