Saved in:
| Main Authors: | Zadorozhny, Karina, Chuang, Kangway V., Sathappan, Bharath, Wallace, Ewan, Sresht, Vishnu, Grambow, Colin A. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2501.09103 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
by: Grambow, Colin A., et al.
Published: (2023)
by: Grambow, Colin A., et al.
Published: (2023)
Accurate and Efficient Structural Ensemble Generation of Macrocyclic Peptides using Internal Coordinate Diffusion
by: Grambow, Colin A., et al.
Published: (2023)
by: Grambow, Colin A., et al.
Published: (2023)
Evaluating the Progression of Large Language Model Capabilities for Small-Molecule Drug Design
by: Chennakesavalu, Shriram, et al.
Published: (2026)
by: Chennakesavalu, Shriram, et al.
Published: (2026)
Efficient Fine-Tuning of Single-Cell Foundation Models Enables Zero-Shot Molecular Perturbation Prediction
by: Maleki, Sepideh, et al.
Published: (2024)
by: Maleki, Sepideh, et al.
Published: (2024)
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning
by: Suriana, Patricia, et al.
Published: (2025)
by: Suriana, Patricia, et al.
Published: (2025)
Structure-based drug design by denoising voxel grids
by: Pinheiro, Pedro O., et al.
Published: (2024)
by: Pinheiro, Pedro O., et al.
Published: (2024)
Pharmacophore-based design by learning on voxel grids
by: Mahmood, Omar, et al.
Published: (2025)
by: Mahmood, Omar, et al.
Published: (2025)
Progressive Refinement of E-commerce Search Ranking Based on Short-Term Activities of the Buyer
by: Sheng, Taoran, et al.
Published: (2025)
by: Sheng, Taoran, et al.
Published: (2025)
Preventing Data Leakage in EEG-Based Survival Prediction: A Two-Stage Embedding and Transformer Framework
by: Zhou, Yixin, et al.
Published: (2026)
by: Zhou, Yixin, et al.
Published: (2026)
Robust Machine Unlearning for Quantized Neural Networks via Adaptive Gradient Reweighting with Similar Labels
by: Tong, Yujia, et al.
Published: (2025)
by: Tong, Yujia, et al.
Published: (2025)
DeepChem Equivariant: SE(3)-Equivariant Support in an Open-Source Molecular Machine Learning Library
by: Siguenza, Jose, et al.
Published: (2025)
by: Siguenza, Jose, et al.
Published: (2025)
Deep Learning for Prediction and Classifying the Dynamical behaviour of Piecewise Smooth Maps
by: S, Vismaya V, et al.
Published: (2024)
by: S, Vismaya V, et al.
Published: (2024)
3D molecule generation by denoising voxel grids
by: Pinheiro, Pedro O., et al.
Published: (2023)
by: Pinheiro, Pedro O., et al.
Published: (2023)
Graph Multi-Similarity Learning for Molecular Property Prediction
by: Xu, Hao, et al.
Published: (2024)
by: Xu, Hao, et al.
Published: (2024)
Product Quantization for Surface Soil Similarity
by: Dozier, Haley, et al.
Published: (2025)
by: Dozier, Haley, et al.
Published: (2025)
Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024)
by: Shreyas, V, et al.
Published: (2024)
Strain Problems got you in a Twist? Try StrainRelief: A Quantum-Accurate Tool for Ligand Strain Calculations
by: Wallace, Ewan R. S., et al.
Published: (2025)
by: Wallace, Ewan R. S., et al.
Published: (2025)
Bayesian Meta-Learning for Improving Generalizability of Health Prediction Models With Similar Causal Mechanisms
by: Wharrie, Sophie, et al.
Published: (2023)
by: Wharrie, Sophie, et al.
Published: (2023)
Leveraging Taxonomy Similarity for Next Activity Prediction in Patient Treatment
by: Kuhn, Martin, et al.
Published: (2025)
by: Kuhn, Martin, et al.
Published: (2025)
Federated Learning: A Stochastic Approximation Approach
by: P V, Srihari, et al.
Published: (2024)
by: P V, Srihari, et al.
Published: (2024)
Open-Source Protein Language Models for Function Prediction and Protein Design
by: Pandi, Shivasankaran Vanaja, et al.
Published: (2024)
by: Pandi, Shivasankaran Vanaja, et al.
Published: (2024)
Enhancing Quantization-Aware Training on Edge Devices via Relative Entropy Coreset Selection and Cascaded Layer Correction
by: Tong, Yujia, et al.
Published: (2025)
by: Tong, Yujia, et al.
Published: (2025)
AgriVariant: Variant Effect Prediction using DeepChem-Variant for Precision Breeding in Rice
by: Bisoi, Ankita Vaishnobi, et al.
Published: (2026)
by: Bisoi, Ankita Vaishnobi, et al.
Published: (2026)
SLO-Conditioned Action Routing for Retrieval-Augmented Generation: Objective Ablation and Failure Modes
by: Nunepalli, Bharath
Published: (2025)
by: Nunepalli, Bharath
Published: (2025)
Learning from Similarity-Confidence and Confidence-Difference
by: Tate, Tomoya, et al.
Published: (2025)
by: Tate, Tomoya, et al.
Published: (2025)
Comparative Analysis of Predicting Subsequent Steps in Hénon Map
by: S, Vismaya V, et al.
Published: (2024)
by: S, Vismaya V, et al.
Published: (2024)
Representation Stability in a Minimal Continual Learning Agent
by: Subramanian, Vishnu
Published: (2026)
by: Subramanian, Vishnu
Published: (2026)
Incorporating Interventional Independence Improves Robustness against Interventional Distribution Shift
by: Sreekumar, Gautam, et al.
Published: (2025)
by: Sreekumar, Gautam, et al.
Published: (2025)
A Methodology for Transparent Logic-Based Classification Using a Multi-Task Convolutional Tsetlin Machine
by: Shende, Mayur Kishor, et al.
Published: (2025)
by: Shende, Mayur Kishor, et al.
Published: (2025)
Quantized SO(3)-Equivariant Graph Neural Networks for Efficient Molecular Property Prediction
by: Zhou, Haoyu, et al.
Published: (2026)
by: Zhou, Haoyu, et al.
Published: (2026)
Molecular Graph Representation Learning via Structural Similarity Information
by: Yao, Chengyu, et al.
Published: (2024)
by: Yao, Chengyu, et al.
Published: (2024)
Learning Tennis Strategy Through Curriculum-Based Dueling Double Deep Q-Networks
by: Mohan, Vishnu
Published: (2025)
by: Mohan, Vishnu
Published: (2025)
SIMformer: Single-Layer Vanilla Transformer Can Learn Free-Space Trajectory Similarity
by: Yang, Chuang, et al.
Published: (2024)
by: Yang, Chuang, et al.
Published: (2024)
LORE: Jointly Learning the Intrinsic Dimensionality and Relative Similarity Structure From Ordinal Data
by: Anand, Vivek, et al.
Published: (2026)
by: Anand, Vivek, et al.
Published: (2026)
Rethinking Graph Contrastive Learning through Relative Similarity Preservation
by: Ning, Zhiyuan, et al.
Published: (2025)
by: Ning, Zhiyuan, et al.
Published: (2025)
Unsupervised Learning: Comparative Analysis of Clustering Techniques on High-Dimensional Data
by: Baligodugula, Vishnu Vardhan, et al.
Published: (2025)
by: Baligodugula, Vishnu Vardhan, et al.
Published: (2025)
Self-Generated In-Context Examples Improve LLM Agents for Sequential Decision-Making Tasks
by: Sarukkai, Vishnu, et al.
Published: (2025)
by: Sarukkai, Vishnu, et al.
Published: (2025)
Counter-Current Learning: A Biologically Plausible Dual Network Approach for Deep Learning
by: Kao, Chia-Hsiang, et al.
Published: (2024)
by: Kao, Chia-Hsiang, et al.
Published: (2024)
Finetuning Large Language Models for Vulnerability Detection
by: Shestov, Alexey, et al.
Published: (2024)
by: Shestov, Alexey, et al.
Published: (2024)
Anchor-based Maximum Discrepancy for Relative Similarity Testing
by: Zhou, Zhijian, et al.
Published: (2025)
by: Zhou, Zhijian, et al.
Published: (2025)
Similar Items
-
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learning
by: Grambow, Colin A., et al.
Published: (2023) -
Accurate and Efficient Structural Ensemble Generation of Macrocyclic Peptides using Internal Coordinate Diffusion
by: Grambow, Colin A., et al.
Published: (2023) -
Evaluating the Progression of Large Language Model Capabilities for Small-Molecule Drug Design
by: Chennakesavalu, Shriram, et al.
Published: (2026) -
Efficient Fine-Tuning of Single-Cell Foundation Models Enables Zero-Shot Molecular Perturbation Prediction
by: Maleki, Sepideh, et al.
Published: (2024) -
Beyond Atoms: Evaluating Electron Density Representation for 3D Molecular Learning
by: Suriana, Patricia, et al.
Published: (2025)