Integrative modeling of PROTAC-mediated ternary complex
☆29May 4, 2022Updated 3 years ago
Alternatives and similar repositories for PROTAC-Model
Users that are interested in PROTAC-Model are comparing it to the libraries listed below
Sorting:
- ☆58Mar 14, 2023Updated 2 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆13Feb 20, 2023Updated 3 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆12Oct 2, 2023Updated 2 years ago
- ☆65Oct 11, 2022Updated 3 years ago
- ☆19Jul 14, 2022Updated 3 years ago
- UROP Project @ Coley Group☆27Jan 22, 2023Updated 3 years ago
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆17Aug 8, 2023Updated 2 years ago
- ☆18Jul 14, 2024Updated last year
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆12Oct 6, 2025Updated 4 months ago
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆11Dec 1, 2025Updated 3 months ago
- ☆22Jan 5, 2025Updated last year
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 5 years ago
- Modeling framework for eTRANSAFE project☆13Aug 6, 2025Updated 6 months ago
- ☆13Sep 4, 2021Updated 4 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 5 years ago
- A python package for computer-aid drug design.☆42Nov 21, 2025Updated 3 months ago
- ☆41Nov 10, 2020Updated 5 years ago
- ☆13Sep 8, 2021Updated 4 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Jun 3, 2024Updated last year
- ☆28Mar 16, 2023Updated 2 years ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- ☆10Apr 20, 2022Updated 3 years ago
- ☆16Jan 2, 2024Updated 2 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- source code for deppHop☆36Aug 19, 2022Updated 3 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- DeltaVina scoring function☆42Apr 7, 2017Updated 8 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆19Dec 22, 2024Updated last year
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.☆16Oct 19, 2019Updated 6 years ago
- ☆17Dec 21, 2022Updated 3 years ago
- Kinase-focused fragment library☆67Jan 28, 2026Updated last month
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- ☆34Feb 28, 2022Updated 4 years ago
- ☆42Nov 29, 2025Updated 3 months ago
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Feb 5, 2020Updated 6 years ago