☆23Mar 30, 2023Updated 3 years ago
Alternatives and similar repositories for PharmHGT
Users that are interested in PharmHGT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Mar 30, 2023Updated 3 years ago
- Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular pr…☆15Nov 26, 2025Updated 7 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆32May 10, 2025Updated last year
- ☆31Jan 20, 2026Updated 6 months ago
- A Graph Neural Network Model for prediction of the effectiveness of a drug on a given cancer cell lines☆17Apr 3, 2023Updated 3 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.
- This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …☆12May 9, 2024Updated 2 years ago
- ☆13Oct 8, 2021Updated 4 years ago
- Code for paper: "Removing Biases from Molecular Representations via Information Maximization"☆21Apr 4, 2024Updated 2 years ago
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆22Jun 4, 2025Updated last year
- UC Davis 2021 Senior Design Project: This Web-based liver segmentation app provides all the standard features of a medical image viewer a…☆12Jun 2, 2021Updated 5 years ago
- Interactive Jupyter notebooks that illustrate solutions of linear heat, Laplace, transport, and wave equations☆10Nov 7, 2023Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆35Mar 29, 2024Updated 2 years ago
- The repository for the paper "Predicting in-hospital mortality by combining clinical notes with time-series data"☆12May 23, 2021Updated 5 years ago
- Heuristic energy-based cyclic peptide design☆15Feb 21, 2025Updated last year
- 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.
- ☆12Jul 21, 2022Updated 4 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆73Apr 17, 2024Updated 2 years ago
- Code for reproducing paper describing methods for representing peptides☆17Updated this week
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆41Mar 16, 2024Updated 2 years ago
- K-RET: Knowledgeable Biomedical Relation Extraction System☆11Feb 22, 2025Updated last year
- ☆16Oct 28, 2024Updated last year
- The code for "MultiWave: Multiresolution Deep Architectures through Wavelet Decomposition for Multivariate Time Series Prediction"☆14Feb 7, 2025Updated last year
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆25Jun 23, 2022Updated 4 years ago
- PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Comp…☆17Mar 18, 2026Updated 4 months 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.
- ☆16Oct 8, 2023Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Repository for "Galaxy spectroscopy without spectra: Galaxy properties from photometric images with conditional diffusion models" (ApJ) a…☆17Apr 10, 2025Updated last year
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆135Jun 9, 2023Updated 3 years ago
- ☆11Dec 18, 2023Updated 2 years ago
- ☆21Jan 29, 2024Updated 2 years ago
- ☆13Nov 10, 2022Updated 3 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 5 years ago
- Go engine with no human-provided knowledge, modeled after the AlphaGo Zero paper.☆11Jan 17, 2020Updated 6 years 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.
- ☆10Jul 7, 2022Updated 4 years ago
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 3 years ago
- Knowledge-Based System'24☆12May 28, 2024Updated 2 years ago
- ☆14Jul 3, 2026Updated 2 weeks ago
- ☆12Aug 7, 2024Updated last year
- Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.☆11Nov 10, 2022Updated 3 years ago
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated last year