☆13May 21, 2024Updated 2 years ago
Alternatives and similar repositories for ProtBENCH
Users that are interested in ProtBENCH are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆18Mar 14, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- ☆15Jul 14, 2025Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆42May 6, 2024Updated 2 years ago
- ☆13Nov 1, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 3 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Tar…☆12Jul 21, 2022Updated 4 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 3 years ago
- ☆13Oct 9, 2024Updated last year
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 2 years ago
- Retrieved Sequence Augmentation for Protein Representation Learning☆52Nov 1, 2023Updated 2 years ago
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- ☆23Oct 11, 2022Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- HyperPCM: Robust task-conditioned modeling of drug-target interactions☆38Oct 1, 2024Updated last year
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆39Jul 16, 2024Updated 2 years ago
- Hierarchical Embedding for Drugs☆17Apr 18, 2024Updated 2 years ago
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- ☆28Jan 9, 2024Updated 2 years ago
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated last year
- Dockerized Version of the DiffDock model from MIT☆13May 22, 2023Updated 3 years ago
- Shows some of the ways molecule generation and optimization can go wrong☆17Jul 6, 2023Updated 3 years ago
- Download all your scrobbles since the beginning of time☆13Oct 19, 2020Updated 5 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.
- ☆21Feb 22, 2024Updated 2 years ago
- Lo-Hi: Practical ML Drug Discovery Benchmark paper☆12Nov 13, 2023Updated 2 years ago
- ☆15Aug 8, 2025Updated 11 months ago
- DolphinNext Tutorial documents☆16Jul 5, 2021Updated 5 years ago
- [Paper][CCKS2023] CausE: Towards Causal Knowledge Graph Embedding☆17Jul 30, 2023Updated 2 years ago
- ☆40Dec 16, 2022Updated 3 years ago
- ☆15Apr 30, 2025Updated last year
- Detecting Aberrant Splicing Events from RNA-sequencing data☆17Dec 10, 2024Updated last year
- Jupyter Notebook Tutorials for Machine Learning in Chemistry (MLChem)☆16Jan 25, 2026Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆15Apr 14, 2023Updated 3 years ago
- 身份证翻译模板☆11May 25, 2020Updated 6 years ago
- "Archaeogenetics analysis of Anatolia"☆14Jan 27, 2021Updated 5 years ago
- ☆10Feb 21, 2022Updated 4 years ago
- 🤖 A Python Package for generating new patient representations driven by data and prior knowledge☆24Oct 24, 2025Updated 8 months ago
- docking visualization with py3dmol and streamlit☆25Mar 15, 2021Updated 5 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆56May 28, 2024Updated 2 years ago