itai-levin / chemoenzymatic-askcosLinks
Base image providing dependencies for ASKCOS Docker images
☆12Updated last year
Alternatives and similar repositories for chemoenzymatic-askcos
Users that are interested in chemoenzymatic-askcos are comparing it to the libraries listed below
Sorting:
- Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)☆29Updated 11 months ago
- ☆17Updated 3 years ago
- ☆27Updated 4 years ago
- MOlecule fRagmenTAtion fRamework☆27Updated last week
- Bioinformatics and Cheminformatics protocols for peptide analysis☆44Updated 3 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆41Updated last year
- COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…☆45Updated 2 weeks ago
- ☆33Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- PKSmart: Predicting PK properties using Chemical Structures☆18Updated 3 months ago
- The official codebase of peptidy, a peptide processing tool for machine learning.☆36Updated 8 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆31Updated last week
- ☆33Updated last year
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated this week
- ☆52Updated 3 years ago
- ☆100Updated 10 months ago
- ☆28Updated 2 years ago
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆20Updated 4 months ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- ☆32Updated 8 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆85Updated last month
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆96Updated this week
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- ☆19Updated last year
- Tools for molecular Docking☆27Updated 5 months ago
- The code for the QuickVina homepage.☆36Updated 3 years ago
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- Cloud-based Drug Binding Structure Prediction☆45Updated last month