Official implementation for BioKinema
☆21Jun 26, 2026Updated 2 weeks ago
Alternatives and similar repositories for BioKinema
Users that are interested in BioKinema are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [Neurips 2025] Official Implementation of ConfRover models☆28Feb 3, 2026Updated 5 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Metal and Water prediction☆14Feb 5, 2025Updated last year
- [ICLR'26] Towards All-Atom Foundation Models for Biomolecular Binding Affinity Prediction☆20Updated this week
- Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"☆83Jun 6, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆62Dec 16, 2025Updated 6 months ago
- Propose CDR single-point mutations that rescue antibody expression without disrupting antigen binding, using bound vs. unbound ProteinMPN…☆15May 26, 2026Updated last month
- ☆17Mar 14, 2026Updated 4 months ago
- Learning Harmonic Molecular Representations on Riemannian Manifold, ICLR, 2023☆25Mar 23, 2023Updated 3 years ago
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆95Dec 7, 2025Updated 7 months ago
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆53Oct 27, 2025Updated 8 months ago
- ☆12May 12, 2025Updated last year
- ☆51May 29, 2026Updated last month
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆31Mar 19, 2026Updated 3 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.
- ☆16Jul 9, 2024Updated 2 years ago
- ☆15Jun 3, 2025Updated last year
- ☆26Aug 25, 2023Updated 2 years ago
- Generative modeling of molecular dynamics trajectories☆221Mar 22, 2026Updated 3 months ago
- An Open-source Drug Discovery Engine☆311Updated this week
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆62Mar 30, 2026Updated 3 months ago
- MBP: Multi-task Bioassay Pre-training for Protein-Ligand Binding Affinity Prediction☆21Oct 15, 2024Updated last year
- ☆10Aug 20, 2023Updated 2 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- STARLING - conSTruction of intrinsicAlly disoRdered proteins ensembles efficientLy vIa multi-dimeNsional Generative models☆71Jun 4, 2026Updated last month
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆57Dec 27, 2023Updated 2 years ago
- Endstate corrections from MM to QML potential☆14Feb 28, 2024Updated 2 years ago
- de novo design of high affinity biological binders☆186Jun 22, 2026Updated 3 weeks ago
- Large Language Model--大模型学习笔记☆13Feb 11, 2026Updated 5 months ago
- ☆22Dec 15, 2024Updated last year
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆17Sep 13, 2025Updated 10 months ago
- Masif seed paper repository☆171Sep 22, 2025Updated 9 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆48Jul 4, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆36Jun 18, 2025Updated last year
- Convergent motifs for binding sites☆27Dec 8, 2022Updated 3 years ago
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆301Updated this week
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Jul 5, 2025Updated last year
- ☆10Nov 10, 2023Updated 2 years ago
- Deep learning tools for peptide substrate prediction and generation☆45Nov 20, 2025Updated 7 months ago
- Different run and analysis scripts as described in the research guides.☆14Jul 5, 2022Updated 4 years ago