☆21Mar 22, 2026Updated 5 months ago
Alternatives and similar repositories for claudeclaw-setup-hypeboy
Users that are interested in claudeclaw-setup-hypeboy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13May 21, 2024Updated 2 years ago
- ☆15Mar 6, 2024Updated 2 years ago
- A curated list of papers on deep graph learning for drug discovery (DGL4DD).☆16Jun 20, 2023Updated 3 years ago
- Accurate and Interpretable Drug-drug Interaction Prediction Enabled by Knowledge Subgraph Learning. Nature Communications (Medicine).☆22Dec 7, 2023Updated 2 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆24Jun 10, 2024Updated 2 years ago
- ☆30Oct 15, 2024Updated last year
- T-ALPHA: a hierarchical transformer-based deep neural network for protein-ligand binding affinity prediction with uncertainty-aware self-…☆32Feb 24, 2025Updated last year
- Download patents as PDF documents from Google Patents☆33Mar 25, 2022Updated 4 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆46Apr 22, 2023Updated 3 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆82Jul 17, 2023Updated 3 years ago
- ☆40Jun 3, 2024Updated 2 years ago
- [Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents☆74Oct 27, 2025Updated 10 months ago
- Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)☆84Feb 11, 2026Updated 6 months 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.
- ChemBERTa-3 Repo☆77Jul 23, 2026Updated last month
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆80Jul 20, 2023Updated 3 years ago
- Source Code for IJCAI'20 "KGNN: Knowledge Graph Neural Network for Drug-Drug Interaction Prediction"☆96Feb 11, 2021Updated 5 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆175Oct 29, 2018Updated 7 years ago
- Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery☆119Mar 27, 2025Updated last year
- Papers about Structure-based Drug Design (SBDD)☆153Sep 1, 2025Updated last year
- How good are LLMs at chemistry?☆146Jan 26, 2026Updated 7 months ago
- Geometric Vector Perceptron --- a rotation-equivariant GNN for learning from biomolecular structure☆164May 1, 2021Updated 5 years ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆307Apr 13, 2021Updated 5 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.
- A Python package for processing molecules with RDKit in scikit-learn☆228Jul 14, 2026Updated last month
- Repository for MolFormer☆409Sep 17, 2025Updated 11 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆228Apr 15, 2025Updated last year
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆219Sep 20, 2022Updated 3 years ago
- ☆256May 22, 2023Updated 3 years ago
- SMILES enumeration for QSAR modelling using LSTM recurrent neural networks☆249Apr 26, 2022Updated 4 years ago
- ATOM3D: tasks on molecules in three dimensions☆319Mar 2, 2023Updated 3 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆326Nov 15, 2025Updated 9 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated 10 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆395Apr 17, 2024Updated 2 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆458Updated this week
- [ACL 2022] LinkBERT: A Knowledgeable Language Model 😎 Pretrained with Document Links☆460Apr 5, 2022Updated 4 years ago
- Graph convolutional neural network for multirelational link prediction☆474Nov 21, 2022Updated 3 years ago
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆533Dec 6, 2024Updated last year
- Python wrapper for the PubChem PUG REST API.☆514Sep 8, 2025Updated 11 months ago
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆544Jun 17, 2023Updated 3 years ago