ParetoDrug
☆12Sep 3, 2024Updated 2 years ago
Alternatives and similar repositories for ParetoDrug
Users that are interested in ParetoDrug are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Sep 22, 2026Updated last month
- ☆15Aug 29, 2025Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆42Oct 20, 2022Updated 4 years ago
- ☆17Sep 27, 2024Updated 2 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Oct 31, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆16Jun 9, 2024Updated 2 years ago
- Application of deep generative model discovers novel and diverse functional peptides against microbial resistance☆11Dec 22, 2022Updated 3 years ago
- ☆26Dec 6, 2025Updated 10 months ago
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- Pytorch implementation of additive margin softmax loss☆11Aug 5, 2021Updated 5 years ago
- Python Toolbox For Rosetta Silent Files Processing☆10Aug 2, 2021Updated 5 years ago
- ☆23Mar 11, 2023Updated 3 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆29Apr 6, 2022Updated 4 years ago
- my own studied materials and scripts☆66Jan 20, 2026Updated 9 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆59Apr 21, 2025Updated last year
- Official code repository for the paper Molecule Generation with Fragment Retrieval Augmentation (NeurIPS 2024)☆31Apr 2, 2025Updated last year
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆31Jun 30, 2025Updated last year
- 基于Spark机器学习的电商推荐系统☆20Aug 30, 2021Updated 5 years ago
- ☆14Apr 10, 2024Updated 2 years ago
- LEAP (Learning Edges by Aggregation of Paths)☆12Feb 2, 2024Updated 2 years ago
- ☆11Jun 16, 2024Updated 2 years ago
- ☆55Feb 3, 2022Updated 4 years ago
- A Transformer Based VAE Architecture for De Novo Molecular Design☆105Feb 11, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated last year
- Official implementation of "Dynamic Many-Objective Molecular Optimization: Unfolding Complexity with Objective Decomposition and Progress…☆10Aug 3, 2024Updated 2 years ago
- HemoPI2: Prediction of hemolytic activity of peptides against mammalian RBCs☆18Jul 13, 2026Updated 3 months ago
- Sentiment Analysis System based on B4MSA and EvoDAG☆10Jan 25, 2026Updated 9 months ago
- ET-Tox☆13Oct 4, 2024Updated 2 years ago
- ☆23Feb 20, 2025Updated last year
- ☆38Dec 21, 2023Updated 2 years ago
- Official repository for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆36Mar 19, 2025Updated last year
- Reference implmentation of Diffusion models on SO(3)☆30Mar 1, 2022Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 8 months ago
- ☆10Apr 4, 2024Updated 2 years ago
- ☆19Nov 23, 2022Updated 3 years ago
- A Molecular Benchmark for Disease and Target Based Machine Learning☆27Feb 9, 2022Updated 4 years ago
- ☆12Jan 13, 2025Updated last year
- Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"☆110Oct 14, 2023Updated 3 years ago
- ☆12Jan 28, 2024Updated 2 years ago