A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data
☆19Aug 8, 2023Updated 2 years ago
Alternatives and similar repositories for Protac-invent
Users that are interested in Protac-invent are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- ☆26Jul 14, 2024Updated 2 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- ☆51Nov 29, 2025Updated 8 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆66Mar 14, 2023Updated 3 years ago
- ☆13Jun 7, 2024Updated 2 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆36May 4, 2022Updated 4 years ago
- ☆69Oct 11, 2022Updated 3 years ago
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- ☆12Jan 8, 2024Updated 2 years ago
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆13Dec 1, 2025Updated 7 months ago
- ☆18Sep 30, 2025Updated 10 months ago
- ☆34Mar 11, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆14Feb 20, 2023Updated 3 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 2 years ago
- source code for deppHop☆36Aug 19, 2022Updated 3 years ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- ☆19Aug 31, 2025Updated 10 months ago
- research the 2019-nCov and design the inhibitors with AI☆14Jun 6, 2022Updated 4 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 7 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆66Jul 2, 2024Updated 2 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.
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆14Oct 6, 2025Updated 9 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- ☆32Jun 2, 2026Updated last month
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆43Jul 17, 2025Updated last year
- ☆15Dec 4, 2023Updated 2 years ago
- ☆14Sep 4, 2021Updated 4 years ago
- ☆179Apr 22, 2022Updated 4 years ago
- ☆23Oct 2, 2024Updated last year
- ☆18Feb 2, 2026Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 3 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Oct 15, 2022Updated 3 years ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆36May 15, 2026Updated 2 months ago
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆78Nov 23, 2024Updated last year
- structure-based explanation methods☆29Apr 27, 2024Updated 2 years ago
- Pipeline for protein-protein interaction prediction☆27Feb 22, 2022Updated 4 years ago