computational-chemistry
Tracked open-source repos tagged computational-chemistry, sorted by stars.
Related topics
Topics that frequently appear alongside computational-chemistry on the same repo.
Recent risers
Repos created in the last 90 days, tagged computational-chemistry.
No new repos tagged with this topic in the last 90 days.
- #1
A deep learning package for many-body potential energy representation and molecular dynamics
★ 2,030+5Star change over the last 7 days - #2
MDAnalysis is a Python library to analyze molecular dynamics simulations.
★ 1,638+0Star change over the last 7 days - #3
A curated list of Python packages related to chemistry
★ 1,437+1Star change over the last 7 days - #4★ 1,217+2Star change over the last 7 days
- #5★ 1,015+6Star change over the last 7 days
- #6★ 971+3Star change over the last 7 days
- #7★ 960+3Star change over the last 7 days
- #8★ 838+3Star change over the last 7 days
- #9
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
★ 719+1Star change over the last 7 days - #10
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
★ 675+2Star change over the last 7 days - #11★ 624+2Star change over the last 7 days
- #12★ 599+4Star change over the last 7 days
- #13★ 536+0Star change over the last 7 days
